USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 LYS NZ :NH3+ 161:sc= -0.28 (180deg=-1.39!) USER MOD Set 1.2: A 122 GLN :FLIP amide:sc= 0.085 F(o=-2.1,f=-0.2) USER MOD Set 2.1: A 94 SER OG : rot 68:sc= 0.0581 USER MOD Set 2.2: A 97 HIS : no HE2:sc= -5.25! C(o=-5.2!,f=-5.1!) USER MOD Set 3.1: A 71 SER OG : rot 121:sc= -1.79 USER MOD Set 3.2: A 78 CYS SG : rot 50:sc= -3.32! USER MOD Set 4.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 75 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.039) USER MOD Set 5.1: A 56 THR OG1 : rot -140:sc= -1.64 USER MOD Set 5.2: A 58 GLN : amide:sc= -2.62! X(o=-4.3!,f=-4.5) USER MOD Set 6.1: A 12 SER OG : rot 140:sc= -1.35 USER MOD Set 6.2: A 89 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -159:sc= -1.75 USER MOD Single : A 13 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.3!) USER MOD Single : A 16 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 36 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-5!) USER MOD Single : A 38 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.7!) USER MOD Single : A 40 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.0015) USER MOD Single : A 42 SER OG : rot 180:sc=-0.000784 USER MOD Single : A 45 SER OG : rot 159:sc= -0.535 USER MOD Single : A 50 TYR OH : rot 0:sc= -1.44! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -90:sc= 1.2 USER MOD Single : A 59 TYR OH : rot 165:sc= -0.903 USER MOD Single : A 62 MET CE :methyl -155:sc= -0.343 (180deg=-1.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -167:sc= 0.252 USER MOD Single : A 72 GLN : amide:sc= -0.36 K(o=-0.36,f=-3!) USER MOD Single : A 87 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.2!) USER MOD Single : A 88 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0037) USER MOD Single : A 90 ASN : amide:sc= -1.17! C(o=-1.2!,f=-4.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -2.71! C(o=-2.7!,f=-6.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.3) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 29:sc= -0.118 USER MOD Single : A 118 THR OG1 : rot -89:sc= 0.724 USER MOD Single : A 119 HIS : no HE2:sc= -1.23! C(o=-1.2!,f=-4.6!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.311 -7.767 2.173 1.00 0.00 N ATOM 98 CA PRO A 6 9.075 -6.587 1.359 1.00 0.00 C ATOM 99 C PRO A 6 8.349 -6.952 0.062 1.00 0.00 C ATOM 100 O PRO A 6 8.509 -8.058 -0.453 1.00 0.00 O ATOM 101 CB PRO A 6 10.453 -5.991 1.121 1.00 0.00 C ATOM 102 CG PRO A 6 11.445 -7.105 1.414 1.00 0.00 C ATOM 103 CD PRO A 6 10.701 -8.211 2.145 1.00 0.00 C ATOM 0 HA PRO A 6 8.422 -5.863 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.554 -5.638 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.625 -5.133 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.878 -7.484 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.269 -6.732 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.802 -9.165 1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.092 -8.352 3.153 1.00 0.00 H new ATOM 111 N LYS A 7 7.568 -6.002 -0.429 1.00 0.00 N ATOM 112 CA LYS A 7 6.817 -6.209 -1.656 1.00 0.00 C ATOM 113 C LYS A 7 6.908 -4.952 -2.523 1.00 0.00 C ATOM 114 O LYS A 7 7.284 -3.886 -2.039 1.00 0.00 O ATOM 115 CB LYS A 7 5.383 -6.637 -1.341 1.00 0.00 C ATOM 116 CG LYS A 7 5.222 -8.153 -1.470 1.00 0.00 C ATOM 117 CD LYS A 7 5.318 -8.834 -0.104 1.00 0.00 C ATOM 118 CE LYS A 7 4.559 -10.162 -0.098 1.00 0.00 C ATOM 119 NZ LYS A 7 3.369 -10.075 0.778 1.00 0.00 N ATOM 0 H LYS A 7 7.439 -5.086 0.001 1.00 0.00 H new ATOM 0 HA LYS A 7 7.249 -7.026 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.120 -6.325 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.693 -6.135 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.260 -8.382 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.992 -8.549 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.364 -9.008 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.912 -8.176 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.253 -10.417 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.215 -10.961 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.865 -10.985 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.668 -9.853 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.736 -9.326 0.431 1.00 0.00 H new ATOM 133 N LEU A 8 6.556 -5.119 -3.790 1.00 0.00 N ATOM 134 CA LEU A 8 6.593 -4.011 -4.728 1.00 0.00 C ATOM 135 C LEU A 8 5.162 -3.601 -5.083 1.00 0.00 C ATOM 136 O LEU A 8 4.286 -4.452 -5.226 1.00 0.00 O ATOM 137 CB LEU A 8 7.450 -4.367 -5.945 1.00 0.00 C ATOM 138 CG LEU A 8 8.722 -5.166 -5.658 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.033 -6.132 -6.803 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.899 -4.236 -5.358 1.00 0.00 C ATOM 0 H LEU A 8 6.244 -6.005 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 8 7.071 -3.143 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.836 -4.937 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.731 -3.443 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 8 8.552 -5.768 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.942 -6.688 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.204 -6.828 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.175 -5.569 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.790 -4.830 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.080 -3.589 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.667 -3.625 -4.486 1.00 0.00 H new ATOM 152 N LEU A 9 4.969 -2.297 -5.215 1.00 0.00 N ATOM 153 CA LEU A 9 3.660 -1.764 -5.551 1.00 0.00 C ATOM 154 C LEU A 9 3.542 -1.631 -7.070 1.00 0.00 C ATOM 155 O LEU A 9 4.295 -0.882 -7.692 1.00 0.00 O ATOM 156 CB LEU A 9 3.405 -0.457 -4.797 1.00 0.00 C ATOM 157 CG LEU A 9 3.222 -0.580 -3.283 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.280 -1.735 -2.936 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.573 -0.710 -2.577 1.00 0.00 C ATOM 0 H LEU A 9 5.698 -1.594 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 9 2.876 -2.449 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.239 0.218 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.513 0.012 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 9 2.755 0.336 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.167 -1.800 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.306 -1.560 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.695 -2.669 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.415 -0.796 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.089 -1.599 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.179 0.172 -2.785 1.00 0.00 H new ATOM 171 N TYR A 10 2.592 -2.369 -7.625 1.00 0.00 N ATOM 172 CA TYR A 10 2.366 -2.343 -9.060 1.00 0.00 C ATOM 173 C TYR A 10 1.206 -1.410 -9.415 1.00 0.00 C ATOM 174 O TYR A 10 0.320 -1.175 -8.595 1.00 0.00 O ATOM 175 CB TYR A 10 1.993 -3.774 -9.454 1.00 0.00 C ATOM 176 CG TYR A 10 1.768 -3.967 -10.955 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.819 -3.813 -11.836 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.514 -4.295 -11.428 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.607 -3.995 -13.249 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.302 -4.477 -12.841 1.00 0.00 C ATOM 181 CZ TYR A 10 1.359 -4.318 -13.681 1.00 0.00 C ATOM 182 OH TYR A 10 1.159 -4.490 -15.015 1.00 0.00 O ATOM 0 H TYR A 10 1.970 -2.989 -7.107 1.00 0.00 H new ATOM 0 HA TYR A 10 3.253 -1.983 -9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.784 -4.448 -9.126 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.087 -4.062 -8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.801 -3.556 -11.466 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.309 -4.415 -10.739 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.421 -3.878 -13.949 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.674 -4.734 -13.224 1.00 0.00 H new ATOM 0 HH TYR A 10 0.220 -4.719 -15.178 1.00 0.00 H new ATOM 192 N CYS A 11 1.250 -0.904 -10.639 1.00 0.00 N ATOM 193 CA CYS A 11 0.214 -0.003 -11.113 1.00 0.00 C ATOM 194 C CYS A 11 -0.243 -0.479 -12.494 1.00 0.00 C ATOM 195 O CYS A 11 0.166 0.076 -13.513 1.00 0.00 O ATOM 196 CB CYS A 11 0.696 1.449 -11.141 1.00 0.00 C ATOM 197 SG CYS A 11 -0.645 2.544 -11.734 1.00 0.00 S ATOM 0 H CYS A 11 1.987 -1.101 -11.316 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.631 -0.023 -10.425 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.012 1.755 -10.144 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.565 1.540 -11.792 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.135 3.658 -12.170 1.00 0.00 H new ATOM 203 N SER A 12 -1.084 -1.503 -12.483 1.00 0.00 N ATOM 204 CA SER A 12 -1.601 -2.060 -13.722 1.00 0.00 C ATOM 205 C SER A 12 -1.871 -0.939 -14.727 1.00 0.00 C ATOM 206 O SER A 12 -1.726 -1.133 -15.933 1.00 0.00 O ATOM 207 CB SER A 12 -2.875 -2.868 -13.473 1.00 0.00 C ATOM 208 OG SER A 12 -3.700 -2.936 -14.633 1.00 0.00 O ATOM 0 H SER A 12 -1.420 -1.961 -11.636 1.00 0.00 H new ATOM 0 HA SER A 12 -0.850 -2.735 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.609 -3.877 -13.158 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.436 -2.417 -12.655 1.00 0.00 H new ATOM 0 HG SER A 12 -4.078 -3.837 -14.713 1.00 0.00 H new ATOM 214 N ASN A 13 -2.260 0.210 -14.194 1.00 0.00 N ATOM 215 CA ASN A 13 -2.552 1.362 -15.030 1.00 0.00 C ATOM 216 C ASN A 13 -1.480 1.484 -16.115 1.00 0.00 C ATOM 217 O ASN A 13 -1.799 1.560 -17.301 1.00 0.00 O ATOM 218 CB ASN A 13 -2.543 2.654 -14.209 1.00 0.00 C ATOM 219 CG ASN A 13 -3.440 3.716 -14.849 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.297 3.429 -15.669 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.196 4.954 -14.431 1.00 0.00 N ATOM 0 H ASN A 13 -2.380 0.368 -13.193 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.540 1.220 -15.468 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.885 2.447 -13.195 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.524 3.033 -14.131 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.741 5.733 -14.799 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.463 5.125 -13.742 1.00 0.00 H new ATOM 228 N GLY A 14 -0.232 1.500 -15.671 1.00 0.00 N ATOM 229 CA GLY A 14 0.888 1.612 -16.589 1.00 0.00 C ATOM 230 C GLY A 14 1.809 0.395 -16.481 1.00 0.00 C ATOM 231 O GLY A 14 2.365 -0.058 -17.481 1.00 0.00 O ATOM 0 H GLY A 14 0.028 1.437 -14.687 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.518 1.703 -17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.451 2.519 -16.372 1.00 0.00 H new ATOM 235 N GLY A 15 1.941 -0.101 -15.260 1.00 0.00 N ATOM 236 CA GLY A 15 2.785 -1.256 -15.008 1.00 0.00 C ATOM 237 C GLY A 15 4.188 -0.827 -14.574 1.00 0.00 C ATOM 238 O GLY A 15 5.163 -1.066 -15.286 1.00 0.00 O ATOM 0 H GLY A 15 1.477 0.276 -14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.335 -1.877 -14.234 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.850 -1.867 -15.909 1.00 0.00 H new ATOM 242 N HIS A 16 4.247 -0.200 -13.409 1.00 0.00 N ATOM 243 CA HIS A 16 5.514 0.266 -12.872 1.00 0.00 C ATOM 244 C HIS A 16 5.549 0.028 -11.361 1.00 0.00 C ATOM 245 O HIS A 16 4.510 -0.183 -10.738 1.00 0.00 O ATOM 246 CB HIS A 16 5.760 1.728 -13.248 1.00 0.00 C ATOM 247 CG HIS A 16 5.913 1.963 -14.732 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.860 1.848 -15.622 1.00 0.00 N ATOM 249 CD2 HIS A 16 7.006 2.309 -15.471 1.00 0.00 C ATOM 250 CE1 HIS A 16 5.310 2.113 -16.840 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.641 2.398 -16.744 1.00 0.00 N ATOM 0 H HIS A 16 3.437 -0.003 -12.821 1.00 0.00 H new ATOM 0 HA HIS A 16 6.332 -0.304 -13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.931 2.332 -12.878 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.660 2.077 -12.741 1.00 0.00 H new ATOM 0 HD2 HIS A 16 8.000 2.481 -15.086 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.726 2.105 -17.749 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.254 2.640 -17.522 1.00 0.00 H new ATOM 259 N PHE A 17 6.756 0.071 -10.815 1.00 0.00 N ATOM 260 CA PHE A 17 6.941 -0.137 -9.389 1.00 0.00 C ATOM 261 C PHE A 17 7.217 1.187 -8.673 1.00 0.00 C ATOM 262 O PHE A 17 7.897 2.058 -9.212 1.00 0.00 O ATOM 263 CB PHE A 17 8.154 -1.055 -9.224 1.00 0.00 C ATOM 264 CG PHE A 17 7.884 -2.515 -9.594 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.714 -3.104 -9.229 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.815 -3.224 -10.287 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.463 -4.459 -9.572 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.564 -4.579 -10.630 1.00 0.00 C ATOM 269 CZ PHE A 17 7.394 -5.168 -10.266 1.00 0.00 C ATOM 0 H PHE A 17 7.616 0.247 -11.335 1.00 0.00 H new ATOM 0 HA PHE A 17 6.040 -0.572 -8.957 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.969 -0.679 -9.843 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.493 -1.010 -8.189 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.975 -2.541 -8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.745 -2.757 -10.576 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.534 -4.926 -9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.303 -5.142 -11.180 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.204 -6.198 -10.528 1.00 0.00 H new ATOM 279 N LEU A 18 6.674 1.296 -7.470 1.00 0.00 N ATOM 280 CA LEU A 18 6.853 2.499 -6.675 1.00 0.00 C ATOM 281 C LEU A 18 8.248 2.487 -6.046 1.00 0.00 C ATOM 282 O LEU A 18 8.533 1.665 -5.176 1.00 0.00 O ATOM 283 CB LEU A 18 5.720 2.641 -5.655 1.00 0.00 C ATOM 284 CG LEU A 18 5.509 4.042 -5.078 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.894 4.978 -6.121 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.678 3.987 -3.795 1.00 0.00 C ATOM 0 H LEU A 18 6.110 0.571 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 18 6.795 3.385 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.791 2.320 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.912 1.955 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 18 6.483 4.453 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.755 5.967 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.559 5.051 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.930 4.583 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.543 4.996 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.704 3.548 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.194 3.378 -3.053 1.00 0.00 H new ATOM 298 N ARG A 19 9.079 3.407 -6.511 1.00 0.00 N ATOM 299 CA ARG A 19 10.437 3.513 -6.006 1.00 0.00 C ATOM 300 C ARG A 19 10.589 4.773 -5.151 1.00 0.00 C ATOM 301 O ARG A 19 10.050 5.825 -5.490 1.00 0.00 O ATOM 302 CB ARG A 19 11.450 3.557 -7.152 1.00 0.00 C ATOM 303 CG ARG A 19 12.815 4.040 -6.659 1.00 0.00 C ATOM 304 CD ARG A 19 13.927 3.618 -7.622 1.00 0.00 C ATOM 305 NE ARG A 19 13.839 4.405 -8.872 1.00 0.00 N ATOM 306 CZ ARG A 19 14.860 4.583 -9.722 1.00 0.00 C ATOM 307 NH1 ARG A 19 16.053 4.031 -9.461 1.00 0.00 N ATOM 308 NH2 ARG A 19 14.689 5.313 -10.832 1.00 0.00 N ATOM 0 H ARG A 19 8.838 4.086 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 19 10.633 2.631 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.549 2.565 -7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.087 4.220 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.807 5.126 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.013 3.632 -5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.900 3.769 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.842 2.555 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 19 12.945 4.839 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.184 3.475 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.830 4.166 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.781 5.734 -11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.466 5.448 -11.478 1.00 0.00 H new ATOM 322 N ILE A 20 11.326 4.624 -4.060 1.00 0.00 N ATOM 323 CA ILE A 20 11.556 5.737 -3.155 1.00 0.00 C ATOM 324 C ILE A 20 13.058 6.014 -3.065 1.00 0.00 C ATOM 325 O ILE A 20 13.788 5.286 -2.393 1.00 0.00 O ATOM 326 CB ILE A 20 10.898 5.470 -1.800 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.402 5.189 -1.963 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.163 6.619 -0.826 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.720 5.044 -0.601 1.00 0.00 C ATOM 0 H ILE A 20 11.771 3.749 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 20 11.087 6.643 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 20 11.349 4.575 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.935 5.999 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.261 4.277 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.684 6.404 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.237 6.729 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.757 7.544 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.658 4.845 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.173 4.218 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.842 5.966 -0.033 1.00 0.00 H new ATOM 341 N LEU A 21 13.475 7.067 -3.752 1.00 0.00 N ATOM 342 CA LEU A 21 14.877 7.449 -3.757 1.00 0.00 C ATOM 343 C LEU A 21 15.234 8.084 -2.412 1.00 0.00 C ATOM 344 O LEU A 21 14.365 8.615 -1.722 1.00 0.00 O ATOM 345 CB LEU A 21 15.184 8.344 -4.960 1.00 0.00 C ATOM 346 CG LEU A 21 14.591 7.896 -6.298 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.908 8.905 -7.403 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.057 6.484 -6.659 1.00 0.00 C ATOM 0 H LEU A 21 12.867 7.668 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 21 15.510 6.570 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.821 9.348 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.266 8.413 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 21 13.506 7.860 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.475 8.563 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.486 9.876 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.989 8.997 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.621 6.190 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.144 6.468 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.738 5.786 -5.885 1.00 0.00 H new ATOM 360 N PRO A 22 16.548 8.008 -2.071 1.00 0.00 N ATOM 361 CA PRO A 22 17.031 8.569 -0.820 1.00 0.00 C ATOM 362 C PRO A 22 17.104 10.095 -0.896 1.00 0.00 C ATOM 363 O PRO A 22 17.479 10.751 0.074 1.00 0.00 O ATOM 364 CB PRO A 22 18.387 7.920 -0.595 1.00 0.00 C ATOM 365 CG PRO A 22 18.819 7.378 -1.948 1.00 0.00 C ATOM 366 CD PRO A 22 17.606 7.387 -2.863 1.00 0.00 C ATOM 0 HA PRO A 22 16.364 8.366 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.108 8.644 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.320 7.120 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.618 7.990 -2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.213 6.367 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.802 7.952 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.332 6.377 -3.167 1.00 0.00 H new ATOM 374 N ASP A 23 16.739 10.616 -2.059 1.00 0.00 N ATOM 375 CA ASP A 23 16.758 12.053 -2.274 1.00 0.00 C ATOM 376 C ASP A 23 15.366 12.625 -1.996 1.00 0.00 C ATOM 377 O ASP A 23 15.116 13.804 -2.240 1.00 0.00 O ATOM 378 CB ASP A 23 17.127 12.388 -3.720 1.00 0.00 C ATOM 379 CG ASP A 23 18.597 12.747 -3.946 1.00 0.00 C ATOM 380 OD1 ASP A 23 19.325 12.821 -2.933 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.960 12.939 -5.127 1.00 0.00 O ATOM 0 H ASP A 23 16.429 10.069 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 23 17.501 12.485 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.876 11.535 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.510 13.222 -4.053 1.00 0.00 H new ATOM 386 N GLY A 24 14.497 11.762 -1.490 1.00 0.00 N ATOM 387 CA GLY A 24 13.137 12.167 -1.177 1.00 0.00 C ATOM 388 C GLY A 24 12.287 12.261 -2.445 1.00 0.00 C ATOM 389 O GLY A 24 11.431 13.137 -2.559 1.00 0.00 O ATOM 0 H GLY A 24 14.708 10.785 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.690 11.451 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.149 13.132 -0.670 1.00 0.00 H new ATOM 393 N THR A 25 12.554 11.347 -3.367 1.00 0.00 N ATOM 394 CA THR A 25 11.824 11.316 -4.623 1.00 0.00 C ATOM 395 C THR A 25 11.014 10.024 -4.737 1.00 0.00 C ATOM 396 O THR A 25 11.436 8.976 -4.250 1.00 0.00 O ATOM 397 CB THR A 25 12.831 11.505 -5.759 1.00 0.00 C ATOM 398 OG1 THR A 25 13.121 12.900 -5.738 1.00 0.00 O ATOM 399 CG2 THR A 25 12.207 11.276 -7.138 1.00 0.00 C ATOM 0 H THR A 25 13.266 10.623 -3.269 1.00 0.00 H new ATOM 0 HA THR A 25 11.095 12.125 -4.678 1.00 0.00 H new ATOM 0 HB THR A 25 13.668 10.820 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.769 13.110 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.964 11.423 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.820 10.259 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.392 11.984 -7.291 1.00 0.00 H new ATOM 407 N VAL A 26 9.863 10.139 -5.385 1.00 0.00 N ATOM 408 CA VAL A 26 8.990 8.993 -5.570 1.00 0.00 C ATOM 409 C VAL A 26 8.486 8.969 -7.014 1.00 0.00 C ATOM 410 O VAL A 26 7.746 9.858 -7.432 1.00 0.00 O ATOM 411 CB VAL A 26 7.857 9.026 -4.542 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.190 7.656 -4.417 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.364 9.516 -3.184 1.00 0.00 C ATOM 0 H VAL A 26 9.515 11.009 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 26 9.537 8.066 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 26 7.105 9.733 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.389 7.707 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.777 7.363 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.928 6.920 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.539 9.530 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.144 8.845 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.770 10.522 -3.289 1.00 0.00 H new ATOM 423 N ASP A 27 8.907 7.941 -7.737 1.00 0.00 N ATOM 424 CA ASP A 27 8.508 7.790 -9.126 1.00 0.00 C ATOM 425 C ASP A 27 8.435 6.301 -9.472 1.00 0.00 C ATOM 426 O ASP A 27 8.984 5.466 -8.754 1.00 0.00 O ATOM 427 CB ASP A 27 9.522 8.444 -10.065 1.00 0.00 C ATOM 428 CG ASP A 27 10.186 9.710 -9.520 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.429 10.641 -9.167 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.434 9.719 -9.468 1.00 0.00 O ATOM 0 H ASP A 27 9.520 7.205 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 27 7.538 8.271 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.299 7.717 -10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.022 8.689 -11.002 1.00 0.00 H new ATOM 435 N GLY A 28 7.753 6.014 -10.571 1.00 0.00 N ATOM 436 CA GLY A 28 7.602 4.641 -11.020 1.00 0.00 C ATOM 437 C GLY A 28 8.828 4.185 -11.813 1.00 0.00 C ATOM 438 O GLY A 28 9.356 4.935 -12.633 1.00 0.00 O ATOM 0 H GLY A 28 7.299 6.709 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.457 3.987 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.710 4.554 -11.640 1.00 0.00 H new ATOM 442 N THR A 29 9.246 2.957 -11.541 1.00 0.00 N ATOM 443 CA THR A 29 10.401 2.393 -12.219 1.00 0.00 C ATOM 444 C THR A 29 10.167 0.912 -12.527 1.00 0.00 C ATOM 445 O THR A 29 9.988 0.106 -11.615 1.00 0.00 O ATOM 446 CB THR A 29 11.632 2.645 -11.346 1.00 0.00 C ATOM 447 OG1 THR A 29 12.730 2.486 -12.241 1.00 0.00 O ATOM 448 CG2 THR A 29 11.842 1.550 -10.299 1.00 0.00 C ATOM 0 H THR A 29 8.806 2.337 -10.861 1.00 0.00 H new ATOM 0 HA THR A 29 10.566 2.872 -13.184 1.00 0.00 H new ATOM 0 HB THR A 29 11.532 3.609 -10.847 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.570 2.634 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.728 1.778 -9.707 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.972 1.500 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.976 0.590 -10.798 1.00 0.00 H new ATOM 456 N ARG A 30 10.177 0.599 -13.814 1.00 0.00 N ATOM 457 CA ARG A 30 9.969 -0.770 -14.253 1.00 0.00 C ATOM 458 C ARG A 30 11.313 -1.478 -14.440 1.00 0.00 C ATOM 459 O ARG A 30 11.601 -1.995 -15.518 1.00 0.00 O ATOM 460 CB ARG A 30 9.190 -0.814 -15.569 1.00 0.00 C ATOM 461 CG ARG A 30 8.224 -2.000 -15.595 1.00 0.00 C ATOM 462 CD ARG A 30 7.537 -2.118 -16.957 1.00 0.00 C ATOM 463 NE ARG A 30 6.738 -3.362 -17.015 1.00 0.00 N ATOM 464 CZ ARG A 30 6.221 -3.871 -18.142 1.00 0.00 C ATOM 465 NH1 ARG A 30 6.415 -3.245 -19.310 1.00 0.00 N ATOM 466 NH2 ARG A 30 5.509 -5.006 -18.099 1.00 0.00 N ATOM 0 H ARG A 30 10.326 1.270 -14.567 1.00 0.00 H new ATOM 0 HA ARG A 30 9.390 -1.280 -13.484 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.635 0.115 -15.698 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.885 -0.888 -16.405 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.766 -2.920 -15.376 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.473 -1.879 -14.814 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.893 -1.255 -17.125 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.284 -2.118 -17.751 1.00 0.00 H new ATOM 0 HE ARG A 30 6.570 -3.864 -16.143 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.956 -2.381 -19.342 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.022 -3.632 -20.168 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.361 -5.482 -17.209 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.115 -5.394 -18.956 1.00 0.00 H new ATOM 480 N ASP A 31 12.098 -1.478 -13.373 1.00 0.00 N ATOM 481 CA ASP A 31 13.405 -2.114 -13.405 1.00 0.00 C ATOM 482 C ASP A 31 13.673 -2.787 -12.058 1.00 0.00 C ATOM 483 O ASP A 31 14.385 -2.240 -11.218 1.00 0.00 O ATOM 484 CB ASP A 31 14.511 -1.086 -13.649 1.00 0.00 C ATOM 485 CG ASP A 31 15.740 -1.622 -14.387 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.533 -2.367 -15.369 1.00 0.00 O ATOM 487 OD2 ASP A 31 16.859 -1.275 -13.951 1.00 0.00 O ATOM 0 H ASP A 31 11.855 -1.048 -12.481 1.00 0.00 H new ATOM 0 HA ASP A 31 13.406 -2.844 -14.215 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.096 -0.256 -14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.830 -0.683 -12.688 1.00 0.00 H new ATOM 492 N ARG A 32 13.089 -3.965 -11.894 1.00 0.00 N ATOM 493 CA ARG A 32 13.256 -4.718 -10.663 1.00 0.00 C ATOM 494 C ARG A 32 14.669 -4.524 -10.110 1.00 0.00 C ATOM 495 O ARG A 32 14.846 -4.306 -8.912 1.00 0.00 O ATOM 496 CB ARG A 32 13.006 -6.210 -10.893 1.00 0.00 C ATOM 497 CG ARG A 32 11.531 -6.558 -10.683 1.00 0.00 C ATOM 498 CD ARG A 32 10.885 -7.019 -11.992 1.00 0.00 C ATOM 499 NE ARG A 32 11.254 -8.424 -12.271 1.00 0.00 N ATOM 500 CZ ARG A 32 11.224 -8.981 -13.489 1.00 0.00 C ATOM 501 NH1 ARG A 32 10.841 -8.256 -14.548 1.00 0.00 N ATOM 502 NH2 ARG A 32 11.576 -10.265 -13.648 1.00 0.00 N ATOM 0 H ARG A 32 12.500 -4.416 -12.593 1.00 0.00 H new ATOM 0 HA ARG A 32 12.527 -4.345 -9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.307 -6.481 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.622 -6.795 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.442 -7.344 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.000 -5.688 -10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.801 -6.926 -11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.210 -6.379 -12.813 1.00 0.00 H new ATOM 0 HE ARG A 32 11.550 -9.005 -11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.572 -7.280 -14.427 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.818 -8.680 -15.475 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.867 -10.818 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.553 -10.689 -14.575 1.00 0.00 H new ATOM 516 N SER A 33 15.639 -4.611 -11.008 1.00 0.00 N ATOM 517 CA SER A 33 17.031 -4.448 -10.625 1.00 0.00 C ATOM 518 C SER A 33 17.148 -3.407 -9.509 1.00 0.00 C ATOM 519 O SER A 33 17.906 -3.593 -8.559 1.00 0.00 O ATOM 520 CB SER A 33 17.889 -4.038 -11.824 1.00 0.00 C ATOM 521 OG SER A 33 19.175 -4.650 -11.794 1.00 0.00 O ATOM 0 H SER A 33 15.488 -4.792 -12.000 1.00 0.00 H new ATOM 0 HA SER A 33 17.399 -5.407 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.378 -4.313 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.003 -2.954 -11.834 1.00 0.00 H new ATOM 0 HG SER A 33 19.691 -4.365 -12.576 1.00 0.00 H new ATOM 527 N ASP A 34 16.386 -2.334 -9.662 1.00 0.00 N ATOM 528 CA ASP A 34 16.394 -1.264 -8.680 1.00 0.00 C ATOM 529 C ASP A 34 16.363 -1.868 -7.274 1.00 0.00 C ATOM 530 O ASP A 34 15.456 -2.628 -6.941 1.00 0.00 O ATOM 531 CB ASP A 34 15.166 -0.364 -8.834 1.00 0.00 C ATOM 532 CG ASP A 34 15.467 1.134 -8.906 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.240 1.599 -8.040 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.918 1.780 -9.824 1.00 0.00 O ATOM 0 H ASP A 34 15.759 -2.183 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 34 17.296 -0.672 -8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.632 -0.656 -9.738 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.494 -0.544 -7.995 1.00 0.00 H new ATOM 539 N GLN A 35 17.366 -1.506 -6.487 1.00 0.00 N ATOM 540 CA GLN A 35 17.466 -2.003 -5.125 1.00 0.00 C ATOM 541 C GLN A 35 16.787 -1.033 -4.156 1.00 0.00 C ATOM 542 O GLN A 35 17.240 -0.860 -3.026 1.00 0.00 O ATOM 543 CB GLN A 35 18.925 -2.238 -4.733 1.00 0.00 C ATOM 544 CG GLN A 35 19.570 -3.299 -5.627 1.00 0.00 C ATOM 545 CD GLN A 35 19.390 -4.698 -5.035 1.00 0.00 C ATOM 546 OE1 GLN A 35 18.373 -5.025 -4.446 1.00 0.00 O ATOM 547 NE2 GLN A 35 20.433 -5.503 -5.223 1.00 0.00 N ATOM 0 H GLN A 35 18.117 -0.874 -6.767 1.00 0.00 H new ATOM 0 HA GLN A 35 16.951 -2.962 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.481 -1.304 -4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.979 -2.554 -3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.125 -3.261 -6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.632 -3.084 -5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 35 21.254 -5.165 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.411 -6.458 -4.865 1.00 0.00 H new ATOM 556 N HIS A 36 15.711 -0.425 -4.634 1.00 0.00 N ATOM 557 CA HIS A 36 14.965 0.523 -3.824 1.00 0.00 C ATOM 558 C HIS A 36 13.476 0.174 -3.867 1.00 0.00 C ATOM 559 O HIS A 36 12.807 0.163 -2.834 1.00 0.00 O ATOM 560 CB HIS A 36 15.250 1.959 -4.267 1.00 0.00 C ATOM 561 CG HIS A 36 16.709 2.343 -4.202 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.678 1.743 -4.988 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.354 3.272 -3.439 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.849 2.293 -4.702 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.646 3.240 -3.741 1.00 0.00 N ATOM 0 H HIS A 36 15.338 -0.571 -5.572 1.00 0.00 H new ATOM 0 HA HIS A 36 15.289 0.454 -2.786 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.895 2.090 -5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.677 2.642 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.891 3.923 -2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.797 2.037 -5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.368 3.827 -3.323 1.00 0.00 H new ATOM 573 N ILE A 37 13.000 -0.101 -5.072 1.00 0.00 N ATOM 574 CA ILE A 37 11.602 -0.449 -5.263 1.00 0.00 C ATOM 575 C ILE A 37 11.169 -1.424 -4.166 1.00 0.00 C ATOM 576 O ILE A 37 9.996 -1.469 -3.799 1.00 0.00 O ATOM 577 CB ILE A 37 11.370 -0.977 -6.680 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.151 -2.271 -6.919 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.700 0.093 -7.724 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.622 -3.012 -8.148 1.00 0.00 C ATOM 0 H ILE A 37 13.557 -0.090 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 37 10.973 0.437 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 37 10.312 -1.216 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.208 -2.042 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.074 -2.913 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.527 -0.308 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 37 11.063 0.964 -7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.745 0.386 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.195 -3.928 -8.295 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.571 -3.261 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.723 -2.376 -9.028 1.00 0.00 H new ATOM 592 N GLN A 38 12.139 -2.180 -3.673 1.00 0.00 N ATOM 593 CA GLN A 38 11.873 -3.151 -2.626 1.00 0.00 C ATOM 594 C GLN A 38 11.311 -2.453 -1.386 1.00 0.00 C ATOM 595 O GLN A 38 12.048 -2.162 -0.445 1.00 0.00 O ATOM 596 CB GLN A 38 13.134 -3.947 -2.283 1.00 0.00 C ATOM 597 CG GLN A 38 13.242 -5.203 -3.149 1.00 0.00 C ATOM 598 CD GLN A 38 13.834 -6.368 -2.354 1.00 0.00 C ATOM 599 OE1 GLN A 38 14.015 -6.303 -1.150 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.126 -7.435 -3.094 1.00 0.00 N ATOM 0 H GLN A 38 13.111 -2.139 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 38 11.127 -3.856 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.015 -3.322 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.116 -4.228 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.255 -5.477 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.866 -4.997 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.949 -7.423 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.527 -8.265 -2.657 1.00 0.00 H new ATOM 609 N LEU A 39 10.010 -2.205 -1.424 1.00 0.00 N ATOM 610 CA LEU A 39 9.340 -1.546 -0.315 1.00 0.00 C ATOM 611 C LEU A 39 8.877 -2.600 0.693 1.00 0.00 C ATOM 612 O LEU A 39 8.541 -3.721 0.314 1.00 0.00 O ATOM 613 CB LEU A 39 8.213 -0.647 -0.828 1.00 0.00 C ATOM 614 CG LEU A 39 8.643 0.694 -1.424 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.473 1.381 -2.130 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.275 1.591 -0.357 1.00 0.00 C ATOM 0 H LEU A 39 9.402 -2.449 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 39 10.030 -0.884 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.654 -1.196 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.527 -0.452 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 39 9.407 0.503 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.806 2.332 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.108 0.743 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.670 1.558 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.572 2.538 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.552 1.777 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.152 1.097 0.061 1.00 0.00 H new ATOM 628 N GLN A 40 8.873 -2.202 1.956 1.00 0.00 N ATOM 629 CA GLN A 40 8.456 -3.098 3.022 1.00 0.00 C ATOM 630 C GLN A 40 7.053 -2.727 3.509 1.00 0.00 C ATOM 631 O GLN A 40 6.851 -1.651 4.069 1.00 0.00 O ATOM 632 CB GLN A 40 9.459 -3.080 4.177 1.00 0.00 C ATOM 633 CG GLN A 40 9.973 -4.490 4.478 1.00 0.00 C ATOM 634 CD GLN A 40 9.763 -4.847 5.951 1.00 0.00 C ATOM 635 OE1 GLN A 40 10.692 -5.142 6.683 1.00 0.00 O ATOM 636 NE2 GLN A 40 8.492 -4.804 6.341 1.00 0.00 N ATOM 0 H GLN A 40 9.152 -1.271 2.266 1.00 0.00 H new ATOM 0 HA GLN A 40 8.426 -4.113 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.297 -2.429 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.987 -2.663 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.454 -5.212 3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.033 -4.555 4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.763 -4.549 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.247 -5.026 7.306 1.00 0.00 H new ATOM 645 N LEU A 41 6.121 -3.640 3.276 1.00 0.00 N ATOM 646 CA LEU A 41 4.743 -3.422 3.684 1.00 0.00 C ATOM 647 C LEU A 41 4.498 -4.116 5.026 1.00 0.00 C ATOM 648 O LEU A 41 4.884 -5.269 5.212 1.00 0.00 O ATOM 649 CB LEU A 41 3.782 -3.863 2.579 1.00 0.00 C ATOM 650 CG LEU A 41 3.626 -2.898 1.401 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.865 -2.013 1.250 1.00 0.00 C ATOM 652 CD2 LEU A 41 3.301 -3.655 0.112 1.00 0.00 C ATOM 0 H LEU A 41 6.293 -4.531 2.810 1.00 0.00 H new ATOM 0 HA LEU A 41 4.553 -2.359 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.120 -4.825 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.800 -4.025 3.023 1.00 0.00 H new ATOM 0 HG LEU A 41 2.783 -2.239 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.728 -1.337 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.010 -1.432 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.740 -2.639 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.195 -2.946 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.107 -4.353 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.369 -4.205 0.239 1.00 0.00 H new ATOM 664 N SER A 42 3.857 -3.384 5.925 1.00 0.00 N ATOM 665 CA SER A 42 3.555 -3.915 7.244 1.00 0.00 C ATOM 666 C SER A 42 2.194 -3.400 7.716 1.00 0.00 C ATOM 667 O SER A 42 1.732 -2.353 7.264 1.00 0.00 O ATOM 668 CB SER A 42 4.644 -3.539 8.251 1.00 0.00 C ATOM 669 OG SER A 42 5.951 -3.777 7.737 1.00 0.00 O ATOM 0 H SER A 42 3.538 -2.428 5.767 1.00 0.00 H new ATOM 0 HA SER A 42 3.521 -5.002 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.545 -2.486 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.505 -4.113 9.167 1.00 0.00 H new ATOM 0 HG SER A 42 6.618 -3.523 8.409 1.00 0.00 H new ATOM 675 N ALA A 43 1.591 -4.158 8.620 1.00 0.00 N ATOM 676 CA ALA A 43 0.293 -3.791 9.159 1.00 0.00 C ATOM 677 C ALA A 43 0.434 -3.479 10.650 1.00 0.00 C ATOM 678 O ALA A 43 0.921 -4.308 11.418 1.00 0.00 O ATOM 679 CB ALA A 43 -0.708 -4.917 8.890 1.00 0.00 C ATOM 0 H ALA A 43 1.978 -5.025 8.993 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.086 -2.894 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.682 -4.642 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.794 -5.079 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.362 -5.833 9.368 1.00 0.00 H new ATOM 685 N GLU A 44 -0.002 -2.283 11.015 1.00 0.00 N ATOM 686 CA GLU A 44 0.069 -1.851 12.401 1.00 0.00 C ATOM 687 C GLU A 44 -1.330 -1.818 13.019 1.00 0.00 C ATOM 688 O GLU A 44 -1.515 -2.223 14.166 1.00 0.00 O ATOM 689 CB GLU A 44 0.753 -0.487 12.516 1.00 0.00 C ATOM 690 CG GLU A 44 0.074 0.378 13.580 1.00 0.00 C ATOM 691 CD GLU A 44 0.957 1.566 13.966 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.188 1.360 14.032 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.382 2.654 14.187 1.00 0.00 O ATOM 0 H GLU A 44 -0.406 -1.599 10.375 1.00 0.00 H new ATOM 0 HA GLU A 44 0.672 -2.570 12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.804 -0.623 12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.721 0.022 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.883 0.739 13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.137 -0.225 14.463 1.00 0.00 H new ATOM 700 N SER A 45 -2.278 -1.330 12.233 1.00 0.00 N ATOM 701 CA SER A 45 -3.654 -1.238 12.689 1.00 0.00 C ATOM 702 C SER A 45 -4.584 -1.927 11.688 1.00 0.00 C ATOM 703 O SER A 45 -4.197 -2.179 10.548 1.00 0.00 O ATOM 704 CB SER A 45 -4.073 0.220 12.886 1.00 0.00 C ATOM 705 OG SER A 45 -2.979 1.117 12.719 1.00 0.00 O ATOM 0 H SER A 45 -2.120 -0.994 11.283 1.00 0.00 H new ATOM 0 HA SER A 45 -3.729 -1.742 13.652 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.859 0.471 12.174 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.495 0.344 13.883 1.00 0.00 H new ATOM 0 HG SER A 45 -3.319 2.015 12.523 1.00 0.00 H new ATOM 711 N VAL A 46 -5.793 -2.211 12.150 1.00 0.00 N ATOM 712 CA VAL A 46 -6.781 -2.865 11.309 1.00 0.00 C ATOM 713 C VAL A 46 -7.102 -1.967 10.113 1.00 0.00 C ATOM 714 O VAL A 46 -7.566 -0.840 10.285 1.00 0.00 O ATOM 715 CB VAL A 46 -8.017 -3.223 12.137 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.166 -3.681 11.236 1.00 0.00 C ATOM 717 CG2 VAL A 46 -7.686 -4.286 13.186 1.00 0.00 C ATOM 0 H VAL A 46 -6.111 -2.000 13.096 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.387 -3.802 10.915 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.340 -2.324 12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.032 -3.929 11.849 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.428 -2.880 10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.857 -4.561 10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.582 -4.522 13.760 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.325 -5.187 12.690 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.914 -3.908 13.857 1.00 0.00 H new ATOM 727 N GLY A 47 -6.842 -2.498 8.928 1.00 0.00 N ATOM 728 CA GLY A 47 -7.097 -1.759 7.704 1.00 0.00 C ATOM 729 C GLY A 47 -6.014 -0.705 7.464 1.00 0.00 C ATOM 730 O GLY A 47 -6.182 0.185 6.631 1.00 0.00 O ATOM 0 H GLY A 47 -6.457 -3.432 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.133 -2.448 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.073 -1.276 7.763 1.00 0.00 H new ATOM 734 N GLU A 48 -4.927 -0.839 8.209 1.00 0.00 N ATOM 735 CA GLU A 48 -3.817 0.091 8.089 1.00 0.00 C ATOM 736 C GLU A 48 -2.540 -0.655 7.697 1.00 0.00 C ATOM 737 O GLU A 48 -2.251 -1.723 8.235 1.00 0.00 O ATOM 738 CB GLU A 48 -3.617 0.877 9.385 1.00 0.00 C ATOM 739 CG GLU A 48 -4.866 1.690 9.732 1.00 0.00 C ATOM 740 CD GLU A 48 -4.504 2.930 10.552 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.425 2.787 11.791 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.315 3.992 9.921 1.00 0.00 O ATOM 0 H GLU A 48 -4.791 -1.578 8.899 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.052 0.807 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.388 0.190 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.762 1.544 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.374 1.991 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.564 1.069 10.294 1.00 0.00 H new ATOM 749 N VAL A 49 -1.809 -0.064 6.764 1.00 0.00 N ATOM 750 CA VAL A 49 -0.570 -0.659 6.295 1.00 0.00 C ATOM 751 C VAL A 49 0.502 0.427 6.182 1.00 0.00 C ATOM 752 O VAL A 49 0.190 1.586 5.912 1.00 0.00 O ATOM 753 CB VAL A 49 -0.811 -1.400 4.978 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.792 -2.558 5.172 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.302 -0.442 3.891 1.00 0.00 C ATOM 0 H VAL A 49 -2.051 0.822 6.320 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.208 -1.400 7.008 1.00 0.00 H new ATOM 0 HB VAL A 49 0.141 -1.818 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.946 -3.068 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.386 -3.261 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.744 -2.171 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.465 -0.995 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.237 0.019 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.554 0.333 3.724 1.00 0.00 H new ATOM 765 N TYR A 50 1.743 0.014 6.394 1.00 0.00 N ATOM 766 CA TYR A 50 2.862 0.937 6.319 1.00 0.00 C ATOM 767 C TYR A 50 3.819 0.548 5.190 1.00 0.00 C ATOM 768 O TYR A 50 4.202 -0.615 5.068 1.00 0.00 O ATOM 769 CB TYR A 50 3.596 0.819 7.656 1.00 0.00 C ATOM 770 CG TYR A 50 3.124 1.818 8.715 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.481 3.148 8.616 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.342 1.390 9.768 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.037 4.088 9.612 1.00 0.00 C ATOM 774 CE2 TYR A 50 1.898 2.331 10.764 1.00 0.00 C ATOM 775 CZ TYR A 50 2.267 3.633 10.637 1.00 0.00 C ATOM 776 OH TYR A 50 1.848 4.521 11.578 1.00 0.00 O ATOM 0 H TYR A 50 1.998 -0.948 6.618 1.00 0.00 H new ATOM 0 HA TYR A 50 2.511 1.950 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.467 -0.192 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.663 0.962 7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.093 3.483 7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.063 0.350 9.845 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.309 5.131 9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.286 2.009 11.593 1.00 0.00 H new ATOM 0 HH TYR A 50 2.189 5.414 11.360 1.00 0.00 H new ATOM 786 N ILE A 51 4.179 1.544 4.393 1.00 0.00 N ATOM 787 CA ILE A 51 5.084 1.320 3.278 1.00 0.00 C ATOM 788 C ILE A 51 6.377 2.105 3.512 1.00 0.00 C ATOM 789 O ILE A 51 6.348 3.325 3.661 1.00 0.00 O ATOM 790 CB ILE A 51 4.394 1.651 1.954 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.919 1.246 1.987 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.136 1.017 0.775 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.204 1.672 0.703 1.00 0.00 C ATOM 0 H ILE A 51 3.861 2.507 4.497 1.00 0.00 H new ATOM 0 HA ILE A 51 5.357 0.267 3.213 1.00 0.00 H new ATOM 0 HB ILE A 51 4.428 2.731 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.837 0.166 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.432 1.704 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.624 1.268 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.157 1.397 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.156 -0.066 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.157 1.372 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.266 2.755 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.678 1.193 -0.154 1.00 0.00 H new ATOM 805 N LYS A 52 7.480 1.372 3.535 1.00 0.00 N ATOM 806 CA LYS A 52 8.781 1.983 3.747 1.00 0.00 C ATOM 807 C LYS A 52 9.819 1.280 2.871 1.00 0.00 C ATOM 808 O LYS A 52 9.657 0.110 2.527 1.00 0.00 O ATOM 809 CB LYS A 52 9.133 1.989 5.236 1.00 0.00 C ATOM 810 CG LYS A 52 9.185 0.564 5.792 1.00 0.00 C ATOM 811 CD LYS A 52 10.366 0.393 6.751 1.00 0.00 C ATOM 812 CE LYS A 52 10.554 -1.078 7.129 1.00 0.00 C ATOM 813 NZ LYS A 52 9.820 -1.390 8.376 1.00 0.00 N ATOM 0 H LYS A 52 7.500 0.360 3.410 1.00 0.00 H new ATOM 0 HA LYS A 52 8.765 3.030 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.097 2.476 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.394 2.571 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.254 0.338 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.272 -0.148 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.276 0.772 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.198 0.985 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.197 -1.716 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.614 -1.293 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.958 -2.392 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.179 -0.794 9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.806 -1.204 8.238 1.00 0.00 H new ATOM 827 N SER A 53 10.864 2.023 2.536 1.00 0.00 N ATOM 828 CA SER A 53 11.929 1.485 1.707 1.00 0.00 C ATOM 829 C SER A 53 12.934 0.724 2.575 1.00 0.00 C ATOM 830 O SER A 53 13.298 1.183 3.657 1.00 0.00 O ATOM 831 CB SER A 53 12.636 2.596 0.928 1.00 0.00 C ATOM 832 OG SER A 53 12.918 2.210 -0.414 1.00 0.00 O ATOM 0 H SER A 53 10.996 2.993 2.824 1.00 0.00 H new ATOM 0 HA SER A 53 11.487 0.798 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.012 3.490 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.566 2.858 1.433 1.00 0.00 H new ATOM 0 HG SER A 53 13.368 2.946 -0.879 1.00 0.00 H new ATOM 838 N THR A 54 13.354 -0.426 2.067 1.00 0.00 N ATOM 839 CA THR A 54 14.310 -1.254 2.782 1.00 0.00 C ATOM 840 C THR A 54 15.734 -0.953 2.312 1.00 0.00 C ATOM 841 O THR A 54 16.674 -1.659 2.675 1.00 0.00 O ATOM 842 CB THR A 54 13.904 -2.717 2.591 1.00 0.00 C ATOM 843 OG1 THR A 54 14.074 -2.945 1.195 1.00 0.00 O ATOM 844 CG2 THR A 54 12.409 -2.945 2.827 1.00 0.00 C ATOM 0 H THR A 54 13.050 -0.803 1.169 1.00 0.00 H new ATOM 0 HA THR A 54 14.301 -1.035 3.850 1.00 0.00 H new ATOM 0 HB THR A 54 14.479 -3.345 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.237 -2.744 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.174 -3.999 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.153 -2.656 3.846 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.834 -2.343 2.124 1.00 0.00 H new ATOM 852 N GLU A 55 15.849 0.097 1.512 1.00 0.00 N ATOM 853 CA GLU A 55 17.143 0.501 0.988 1.00 0.00 C ATOM 854 C GLU A 55 17.658 1.731 1.737 1.00 0.00 C ATOM 855 O GLU A 55 18.613 1.639 2.507 1.00 0.00 O ATOM 856 CB GLU A 55 17.067 0.766 -0.517 1.00 0.00 C ATOM 857 CG GLU A 55 18.439 1.149 -1.076 1.00 0.00 C ATOM 858 CD GLU A 55 19.320 -0.089 -1.260 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.206 -0.998 -0.411 1.00 0.00 O ATOM 860 OE2 GLU A 55 20.088 -0.097 -2.247 1.00 0.00 O ATOM 0 H GLU A 55 15.067 0.680 1.214 1.00 0.00 H new ATOM 0 HA GLU A 55 17.848 -0.316 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.697 -0.123 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.354 1.567 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.317 1.659 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.928 1.851 -0.401 1.00 0.00 H new ATOM 867 N THR A 56 17.003 2.855 1.484 1.00 0.00 N ATOM 868 CA THR A 56 17.383 4.103 2.125 1.00 0.00 C ATOM 869 C THR A 56 16.927 4.113 3.585 1.00 0.00 C ATOM 870 O THR A 56 17.734 4.321 4.490 1.00 0.00 O ATOM 871 CB THR A 56 16.804 5.253 1.299 1.00 0.00 C ATOM 872 OG1 THR A 56 15.402 5.187 1.546 1.00 0.00 O ATOM 873 CG2 THR A 56 16.929 5.015 -0.207 1.00 0.00 C ATOM 0 H THR A 56 16.212 2.928 0.844 1.00 0.00 H new ATOM 0 HA THR A 56 18.466 4.219 2.156 1.00 0.00 H new ATOM 0 HB THR A 56 17.313 6.180 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.915 5.365 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.503 5.861 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.981 4.908 -0.472 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.393 4.105 -0.477 1.00 0.00 H new ATOM 881 N GLY A 57 15.635 3.885 3.770 1.00 0.00 N ATOM 882 CA GLY A 57 15.062 3.865 5.105 1.00 0.00 C ATOM 883 C GLY A 57 14.061 5.008 5.289 1.00 0.00 C ATOM 884 O GLY A 57 14.031 5.649 6.338 1.00 0.00 O ATOM 0 H GLY A 57 14.969 3.712 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.565 2.910 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.856 3.949 5.847 1.00 0.00 H new ATOM 888 N GLN A 58 13.265 5.228 4.252 1.00 0.00 N ATOM 889 CA GLN A 58 12.266 6.281 4.286 1.00 0.00 C ATOM 890 C GLN A 58 10.860 5.682 4.210 1.00 0.00 C ATOM 891 O GLN A 58 10.681 4.571 3.714 1.00 0.00 O ATOM 892 CB GLN A 58 12.494 7.290 3.159 1.00 0.00 C ATOM 893 CG GLN A 58 13.985 7.571 2.968 1.00 0.00 C ATOM 894 CD GLN A 58 14.239 8.322 1.658 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.848 9.378 1.626 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.739 7.718 0.584 1.00 0.00 N ATOM 0 H GLN A 58 13.293 4.694 3.383 1.00 0.00 H new ATOM 0 HA GLN A 58 12.361 6.815 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.071 6.906 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.971 8.219 3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.358 8.159 3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.538 6.632 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.239 6.834 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.855 8.138 -0.338 1.00 0.00 H new ATOM 905 N TYR A 59 9.898 6.445 4.709 1.00 0.00 N ATOM 906 CA TYR A 59 8.514 6.003 4.703 1.00 0.00 C ATOM 907 C TYR A 59 7.719 6.706 3.601 1.00 0.00 C ATOM 908 O TYR A 59 7.910 7.896 3.355 1.00 0.00 O ATOM 909 CB TYR A 59 7.939 6.402 6.064 1.00 0.00 C ATOM 910 CG TYR A 59 8.768 5.919 7.256 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.561 4.657 7.774 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.723 6.745 7.812 1.00 0.00 C ATOM 913 CE1 TYR A 59 9.341 4.202 8.896 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.503 6.290 8.933 1.00 0.00 C ATOM 915 CZ TYR A 59 10.274 5.041 9.420 1.00 0.00 C ATOM 916 OH TYR A 59 11.011 4.612 10.479 1.00 0.00 O ATOM 0 H TYR A 59 10.050 7.366 5.120 1.00 0.00 H new ATOM 0 HA TYR A 59 8.454 4.930 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.857 7.488 6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.929 6.002 6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.814 4.010 7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.885 7.733 7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.188 3.217 9.312 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.254 6.927 9.378 1.00 0.00 H new ATOM 0 HH TYR A 59 11.787 5.199 10.597 1.00 0.00 H new ATOM 926 N LEU A 60 6.843 5.940 2.968 1.00 0.00 N ATOM 927 CA LEU A 60 6.018 6.474 1.897 1.00 0.00 C ATOM 928 C LEU A 60 4.831 7.227 2.502 1.00 0.00 C ATOM 929 O LEU A 60 3.995 6.634 3.181 1.00 0.00 O ATOM 930 CB LEU A 60 5.611 5.362 0.929 1.00 0.00 C ATOM 931 CG LEU A 60 4.738 5.788 -0.254 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.596 6.132 -1.473 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.689 4.721 -0.574 1.00 0.00 C ATOM 0 H LEU A 60 6.686 4.954 3.176 1.00 0.00 H new ATOM 0 HA LEU A 60 6.583 7.192 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.517 4.898 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.078 4.595 1.491 1.00 0.00 H new ATOM 0 HG LEU A 60 4.201 6.694 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.951 6.431 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.270 6.951 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.179 5.259 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.082 5.049 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.187 3.785 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.049 4.568 0.295 1.00 0.00 H new ATOM 945 N ALA A 61 4.796 8.524 2.233 1.00 0.00 N ATOM 946 CA ALA A 61 3.726 9.365 2.742 1.00 0.00 C ATOM 947 C ALA A 61 3.283 10.338 1.647 1.00 0.00 C ATOM 948 O ALA A 61 4.054 10.652 0.742 1.00 0.00 O ATOM 949 CB ALA A 61 4.200 10.086 4.006 1.00 0.00 C ATOM 0 H ALA A 61 5.491 9.013 1.669 1.00 0.00 H new ATOM 0 HA ALA A 61 2.861 8.761 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.397 10.717 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.475 9.351 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.066 10.704 3.769 1.00 0.00 H new ATOM 955 N MET A 62 2.043 10.788 1.766 1.00 0.00 N ATOM 956 CA MET A 62 1.488 11.719 0.798 1.00 0.00 C ATOM 957 C MET A 62 1.303 13.107 1.416 1.00 0.00 C ATOM 958 O MET A 62 0.514 13.277 2.344 1.00 0.00 O ATOM 959 CB MET A 62 0.138 11.196 0.303 1.00 0.00 C ATOM 960 CG MET A 62 -0.441 12.113 -0.777 1.00 0.00 C ATOM 961 SD MET A 62 -1.938 11.402 -1.441 1.00 0.00 S ATOM 962 CE MET A 62 -1.279 9.908 -2.161 1.00 0.00 C ATOM 0 H MET A 62 1.406 10.525 2.518 1.00 0.00 H new ATOM 0 HA MET A 62 2.183 11.804 -0.037 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.258 10.189 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.558 11.127 1.139 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.651 13.097 -0.357 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.289 12.256 -1.574 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.932 9.574 -2.968 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.283 10.104 -2.558 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.219 9.132 -1.398 1.00 0.00 H new ATOM 972 N ASP A 63 2.044 14.063 0.875 1.00 0.00 N ATOM 973 CA ASP A 63 1.971 15.431 1.361 1.00 0.00 C ATOM 974 C ASP A 63 0.619 16.033 0.976 1.00 0.00 C ATOM 975 O ASP A 63 -0.259 15.330 0.478 1.00 0.00 O ATOM 976 CB ASP A 63 3.069 16.296 0.738 1.00 0.00 C ATOM 977 CG ASP A 63 4.274 16.562 1.642 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.039 16.787 2.849 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.403 16.533 1.106 1.00 0.00 O ATOM 0 H ASP A 63 2.697 13.918 0.105 1.00 0.00 H new ATOM 0 HA ASP A 63 2.098 15.412 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.418 15.812 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.635 17.252 0.446 1.00 0.00 H new ATOM 984 N THR A 64 0.493 17.329 1.220 1.00 0.00 N ATOM 985 CA THR A 64 -0.738 18.034 0.905 1.00 0.00 C ATOM 986 C THR A 64 -0.768 18.419 -0.575 1.00 0.00 C ATOM 987 O THR A 64 -1.748 18.989 -1.052 1.00 0.00 O ATOM 988 CB THR A 64 -0.850 19.235 1.847 1.00 0.00 C ATOM 989 OG1 THR A 64 0.058 20.189 1.303 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.289 18.940 3.240 1.00 0.00 C ATOM 0 H THR A 64 1.223 17.910 1.632 1.00 0.00 H new ATOM 0 HA THR A 64 -1.609 17.397 1.061 1.00 0.00 H new ATOM 0 HB THR A 64 -1.895 19.534 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.048 21.001 1.852 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.393 19.824 3.869 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.839 18.111 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.765 18.674 3.159 1.00 0.00 H new ATOM 998 N ASP A 65 0.317 18.092 -1.261 1.00 0.00 N ATOM 999 CA ASP A 65 0.427 18.396 -2.677 1.00 0.00 C ATOM 1000 C ASP A 65 -0.201 17.261 -3.489 1.00 0.00 C ATOM 1001 O ASP A 65 -0.446 17.410 -4.685 1.00 0.00 O ATOM 1002 CB ASP A 65 1.892 18.525 -3.101 1.00 0.00 C ATOM 1003 CG ASP A 65 2.719 19.514 -2.276 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.282 20.682 -2.187 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.768 19.080 -1.755 1.00 0.00 O ATOM 0 H ASP A 65 1.128 17.619 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.086 19.340 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.360 17.543 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.926 18.829 -4.147 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.443 16.152 -2.805 1.00 0.00 N ATOM 1011 CA GLY A 66 -1.038 14.992 -3.448 1.00 0.00 C ATOM 1012 C GLY A 66 0.041 14.043 -3.973 1.00 0.00 C ATOM 1013 O GLY A 66 -0.263 12.933 -4.409 1.00 0.00 O ATOM 0 H GLY A 66 -0.238 16.032 -1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.676 14.466 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.675 15.315 -4.271 1.00 0.00 H new ATOM 1017 N LEU A 67 1.278 14.513 -3.913 1.00 0.00 N ATOM 1018 CA LEU A 67 2.403 13.719 -4.377 1.00 0.00 C ATOM 1019 C LEU A 67 2.970 12.913 -3.206 1.00 0.00 C ATOM 1020 O LEU A 67 2.666 13.196 -2.049 1.00 0.00 O ATOM 1021 CB LEU A 67 3.437 14.609 -5.069 1.00 0.00 C ATOM 1022 CG LEU A 67 2.945 15.380 -6.295 1.00 0.00 C ATOM 1023 CD1 LEU A 67 1.654 14.771 -6.845 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.787 16.869 -5.980 1.00 0.00 C ATOM 0 H LEU A 67 1.526 15.433 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 67 2.078 13.002 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.815 15.327 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.280 13.987 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 67 3.700 15.294 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.326 15.338 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.834 13.735 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.880 14.805 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.436 17.394 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.064 16.996 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.749 17.280 -5.672 1.00 0.00 H new ATOM 1036 N LEU A 68 3.784 11.926 -3.549 1.00 0.00 N ATOM 1037 CA LEU A 68 4.397 11.077 -2.541 1.00 0.00 C ATOM 1038 C LEU A 68 5.843 11.523 -2.315 1.00 0.00 C ATOM 1039 O LEU A 68 6.537 11.891 -3.261 1.00 0.00 O ATOM 1040 CB LEU A 68 4.260 9.603 -2.927 1.00 0.00 C ATOM 1041 CG LEU A 68 2.834 9.053 -2.981 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.688 8.016 -4.096 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.409 8.495 -1.621 1.00 0.00 C ATOM 0 H LEU A 68 4.034 11.695 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 68 3.879 11.182 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.721 9.460 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.831 9.007 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 68 2.160 9.876 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.665 7.641 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.921 8.478 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.375 7.189 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.391 8.110 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.083 7.689 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.449 9.288 -0.874 1.00 0.00 H new ATOM 1055 N TYR A 69 6.254 11.474 -1.057 1.00 0.00 N ATOM 1056 CA TYR A 69 7.605 11.868 -0.695 1.00 0.00 C ATOM 1057 C TYR A 69 8.188 10.924 0.358 1.00 0.00 C ATOM 1058 O TYR A 69 7.461 10.137 0.962 1.00 0.00 O ATOM 1059 CB TYR A 69 7.489 13.271 -0.097 1.00 0.00 C ATOM 1060 CG TYR A 69 6.748 13.318 1.241 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.314 12.749 2.364 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.513 13.930 1.325 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.616 12.793 3.623 1.00 0.00 C ATOM 1064 CE2 TYR A 69 4.816 13.974 2.584 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.402 13.403 3.671 1.00 0.00 C ATOM 1066 OH TYR A 69 4.743 13.444 4.860 1.00 0.00 O ATOM 0 H TYR A 69 5.675 11.167 -0.275 1.00 0.00 H new ATOM 0 HA TYR A 69 8.260 11.838 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.490 13.681 0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.974 13.917 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.280 12.271 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.070 14.376 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.047 12.351 4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.850 14.450 2.664 1.00 0.00 H new ATOM 0 HH TYR A 69 3.814 13.719 4.710 1.00 0.00 H new ATOM 1076 N GLY A 70 9.495 11.034 0.547 1.00 0.00 N ATOM 1077 CA GLY A 70 10.184 10.200 1.517 1.00 0.00 C ATOM 1078 C GLY A 70 10.206 10.865 2.894 1.00 0.00 C ATOM 1079 O GLY A 70 10.747 11.958 3.051 1.00 0.00 O ATOM 0 H GLY A 70 10.095 11.688 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.690 9.231 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.205 10.014 1.182 1.00 0.00 H new ATOM 1083 N SER A 71 9.611 10.177 3.858 1.00 0.00 N ATOM 1084 CA SER A 71 9.555 10.687 5.217 1.00 0.00 C ATOM 1085 C SER A 71 10.816 10.279 5.981 1.00 0.00 C ATOM 1086 O SER A 71 11.302 9.159 5.831 1.00 0.00 O ATOM 1087 CB SER A 71 8.307 10.183 5.944 1.00 0.00 C ATOM 1088 OG SER A 71 8.634 9.323 7.032 1.00 0.00 O ATOM 0 H SER A 71 9.163 9.270 3.724 1.00 0.00 H new ATOM 0 HA SER A 71 9.501 11.775 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.734 11.034 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.668 9.650 5.240 1.00 0.00 H new ATOM 0 HG SER A 71 8.279 9.699 7.864 1.00 0.00 H new ATOM 1094 N GLN A 72 11.311 11.210 6.784 1.00 0.00 N ATOM 1095 CA GLN A 72 12.506 10.961 7.572 1.00 0.00 C ATOM 1096 C GLN A 72 12.166 10.107 8.796 1.00 0.00 C ATOM 1097 O GLN A 72 12.994 9.326 9.261 1.00 0.00 O ATOM 1098 CB GLN A 72 13.173 12.274 7.987 1.00 0.00 C ATOM 1099 CG GLN A 72 14.687 12.102 8.118 1.00 0.00 C ATOM 1100 CD GLN A 72 15.431 13.122 7.253 1.00 0.00 C ATOM 1101 OE1 GLN A 72 14.854 13.822 6.438 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.742 13.165 7.475 1.00 0.00 N ATOM 0 H GLN A 72 10.906 12.138 6.906 1.00 0.00 H new ATOM 0 HA GLN A 72 13.216 10.411 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.954 13.046 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.758 12.613 8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.981 12.221 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.969 11.092 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.162 12.551 8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.328 13.812 6.947 1.00 0.00 H new ATOM 1111 N THR A 73 10.947 10.286 9.283 1.00 0.00 N ATOM 1112 CA THR A 73 10.488 9.542 10.443 1.00 0.00 C ATOM 1113 C THR A 73 9.104 8.945 10.181 1.00 0.00 C ATOM 1114 O THR A 73 8.356 9.447 9.344 1.00 0.00 O ATOM 1115 CB THR A 73 10.525 10.481 11.651 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.932 11.685 11.174 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.950 10.892 12.029 1.00 0.00 C ATOM 0 H THR A 73 10.263 10.936 8.895 1.00 0.00 H new ATOM 0 HA THR A 73 11.139 8.693 10.651 1.00 0.00 H new ATOM 0 HB THR A 73 10.049 9.995 12.503 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.914 12.349 11.895 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.920 11.558 12.892 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.531 10.004 12.276 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.415 11.408 11.189 1.00 0.00 H new ATOM 1125 N PRO A 74 8.798 7.853 10.931 1.00 0.00 N ATOM 1126 CA PRO A 74 7.518 7.181 10.788 1.00 0.00 C ATOM 1127 C PRO A 74 6.398 7.990 11.446 1.00 0.00 C ATOM 1128 O PRO A 74 6.343 8.100 12.670 1.00 0.00 O ATOM 1129 CB PRO A 74 7.716 5.815 11.424 1.00 0.00 C ATOM 1130 CG PRO A 74 8.946 5.942 12.309 1.00 0.00 C ATOM 1131 CD PRO A 74 9.660 7.231 11.932 1.00 0.00 C ATOM 0 HA PRO A 74 7.211 7.079 9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.842 5.526 12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.859 5.047 10.664 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.660 5.958 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.606 5.086 12.171 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.792 7.879 12.799 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.653 7.031 11.530 1.00 0.00 H new ATOM 1139 N ASN A 75 5.532 8.535 10.604 1.00 0.00 N ATOM 1140 CA ASN A 75 4.417 9.331 11.088 1.00 0.00 C ATOM 1141 C ASN A 75 3.109 8.748 10.549 1.00 0.00 C ATOM 1142 O ASN A 75 3.107 8.049 9.537 1.00 0.00 O ATOM 1143 CB ASN A 75 4.523 10.779 10.607 1.00 0.00 C ATOM 1144 CG ASN A 75 5.830 11.420 11.081 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.985 11.798 12.230 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.757 11.520 10.133 1.00 0.00 N ATOM 0 H ASN A 75 5.580 8.441 9.589 1.00 0.00 H new ATOM 0 HA ASN A 75 4.437 9.312 12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.473 10.809 9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.675 11.353 10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.664 11.934 10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.561 11.183 9.190 1.00 0.00 H new ATOM 1153 N GLU A 76 2.028 9.058 11.249 1.00 0.00 N ATOM 1154 CA GLU A 76 0.716 8.574 10.854 1.00 0.00 C ATOM 1155 C GLU A 76 0.507 8.775 9.351 1.00 0.00 C ATOM 1156 O GLU A 76 -0.273 8.056 8.728 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.388 9.264 11.657 1.00 0.00 C ATOM 1158 CG GLU A 76 -0.946 8.332 12.735 1.00 0.00 C ATOM 1159 CD GLU A 76 -1.161 9.082 14.051 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -1.795 10.158 13.994 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -0.687 8.562 15.084 1.00 0.00 O ATOM 0 H GLU A 76 2.034 9.639 12.088 1.00 0.00 H new ATOM 0 HA GLU A 76 0.664 7.507 11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.006 10.168 12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.191 9.573 10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.890 7.904 12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.258 7.501 12.894 1.00 0.00 H new ATOM 1168 N GLU A 77 1.218 9.754 8.813 1.00 0.00 N ATOM 1169 CA GLU A 77 1.121 10.058 7.395 1.00 0.00 C ATOM 1170 C GLU A 77 1.567 8.855 6.562 1.00 0.00 C ATOM 1171 O GLU A 77 1.063 8.635 5.462 1.00 0.00 O ATOM 1172 CB GLU A 77 1.939 11.302 7.043 1.00 0.00 C ATOM 1173 CG GLU A 77 1.272 12.568 7.584 1.00 0.00 C ATOM 1174 CD GLU A 77 2.069 13.816 7.198 1.00 0.00 C ATOM 1175 OE1 GLU A 77 2.151 14.083 5.980 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.580 14.474 8.130 1.00 0.00 O ATOM 0 H GLU A 77 1.864 10.348 9.333 1.00 0.00 H new ATOM 0 HA GLU A 77 0.078 10.271 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.943 11.210 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.046 11.377 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.258 12.645 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.191 12.505 8.669 1.00 0.00 H new ATOM 1183 N CYS A 78 2.508 8.106 7.120 1.00 0.00 N ATOM 1184 CA CYS A 78 3.027 6.930 6.442 1.00 0.00 C ATOM 1185 C CYS A 78 1.988 5.813 6.553 1.00 0.00 C ATOM 1186 O CYS A 78 2.048 4.829 5.817 1.00 0.00 O ATOM 1187 CB CYS A 78 4.384 6.505 7.008 1.00 0.00 C ATOM 1188 SG CYS A 78 5.500 7.952 7.112 1.00 0.00 S ATOM 0 H CYS A 78 2.924 8.291 8.033 1.00 0.00 H new ATOM 0 HA CYS A 78 3.200 7.160 5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.253 6.065 7.996 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.828 5.738 6.373 1.00 0.00 H new ATOM 0 HG CYS A 78 4.888 8.930 7.711 1.00 0.00 H new ATOM 1194 N LEU A 79 1.059 6.002 7.478 1.00 0.00 N ATOM 1195 CA LEU A 79 0.008 5.023 7.695 1.00 0.00 C ATOM 1196 C LEU A 79 -1.139 5.287 6.717 1.00 0.00 C ATOM 1197 O LEU A 79 -1.738 6.361 6.733 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.425 5.017 9.162 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.154 3.759 9.641 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.589 2.508 8.967 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.119 3.653 11.167 1.00 0.00 C ATOM 0 H LEU A 79 1.012 6.819 8.086 1.00 0.00 H new ATOM 0 HA LEU A 79 0.377 4.018 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.460 5.158 9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.074 5.876 9.332 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.201 3.838 9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.124 1.629 9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.709 2.591 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.470 2.411 9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.644 2.751 11.481 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.084 3.607 11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.605 4.526 11.604 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.409 4.289 5.888 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.473 4.400 4.905 1.00 0.00 C ATOM 1215 C PHE A 80 -3.561 3.353 5.154 1.00 0.00 C ATOM 1216 O PHE A 80 -3.353 2.404 5.907 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.843 4.148 3.534 1.00 0.00 C ATOM 1218 CG PHE A 80 -1.039 5.331 2.992 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.004 5.830 3.708 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.367 5.884 1.793 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.750 6.928 3.205 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.621 6.982 1.290 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.422 7.481 2.006 1.00 0.00 C ATOM 0 H PHE A 80 -0.909 3.400 5.877 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.934 5.386 4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.190 3.278 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.632 3.902 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.265 5.391 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.195 5.488 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.578 7.324 3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.882 7.421 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.990 8.316 1.623 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.698 3.562 4.506 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.818 2.648 4.647 1.00 0.00 C ATOM 1235 C LEU A 81 -5.904 1.757 3.406 1.00 0.00 C ATOM 1236 O LEU A 81 -6.005 2.255 2.286 1.00 0.00 O ATOM 1237 CB LEU A 81 -7.106 3.421 4.939 1.00 0.00 C ATOM 1238 CG LEU A 81 -7.074 4.340 6.162 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -6.308 3.690 7.316 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.508 5.714 5.800 1.00 0.00 C ATOM 0 H LEU A 81 -4.867 4.351 3.882 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.667 1.990 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.352 4.022 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.916 2.703 5.070 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.098 4.493 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.300 4.364 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.794 2.755 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.283 3.488 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.496 6.348 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.492 5.601 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.132 6.174 5.034 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.861 0.455 3.647 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.933 -0.510 2.563 1.00 0.00 C ATOM 1254 C GLU A 82 -7.279 -1.236 2.586 1.00 0.00 C ATOM 1255 O GLU A 82 -7.828 -1.499 3.655 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.772 -1.504 2.636 1.00 0.00 C ATOM 1257 CG GLU A 82 -5.026 -2.711 1.731 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.614 -3.878 2.527 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.857 -3.910 2.654 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.807 -4.713 2.990 1.00 0.00 O ATOM 0 H GLU A 82 -5.777 0.046 4.577 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.849 0.027 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.847 -1.010 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.639 -1.838 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.710 -2.432 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.093 -3.020 1.261 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.773 -1.539 1.395 1.00 0.00 N ATOM 1268 CA ARG A 83 -9.044 -2.230 1.265 1.00 0.00 C ATOM 1269 C ARG A 83 -8.991 -3.228 0.107 1.00 0.00 C ATOM 1270 O ARG A 83 -8.076 -3.183 -0.715 1.00 0.00 O ATOM 1271 CB ARG A 83 -10.186 -1.241 1.025 1.00 0.00 C ATOM 1272 CG ARG A 83 -11.461 -1.690 1.742 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.692 -1.478 0.858 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.836 -1.030 1.683 1.00 0.00 N ATOM 1275 CZ ARG A 83 -14.977 -0.539 1.180 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -15.133 -0.429 -0.146 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -15.962 -0.157 2.004 1.00 0.00 N ATOM 0 H ARG A 83 -7.315 -1.318 0.510 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.229 -2.762 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.895 -0.252 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.378 -1.154 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.379 -2.743 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.576 -1.132 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.475 -0.736 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.945 -2.405 0.344 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.751 -1.099 2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.383 -0.719 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.002 -0.055 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.843 -0.240 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.831 0.217 1.622 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.983 -4.106 0.078 1.00 0.00 N ATOM 1292 CA LEU A 84 -10.060 -5.113 -0.966 1.00 0.00 C ATOM 1293 C LEU A 84 -11.020 -4.637 -2.059 1.00 0.00 C ATOM 1294 O LEU A 84 -12.223 -4.527 -1.828 1.00 0.00 O ATOM 1295 CB LEU A 84 -10.431 -6.473 -0.372 1.00 0.00 C ATOM 1296 CG LEU A 84 -10.925 -7.527 -1.366 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -12.440 -7.432 -1.558 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -10.172 -7.425 -2.693 1.00 0.00 C ATOM 0 H LEU A 84 -10.740 -4.141 0.761 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.086 -5.250 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.558 -6.871 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.205 -6.320 0.380 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.714 -8.513 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.765 -8.192 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.939 -7.592 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.697 -6.444 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.542 -8.185 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.329 -6.437 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.107 -7.580 -2.520 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.451 -4.366 -3.225 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.241 -3.904 -4.353 1.00 0.00 C ATOM 1312 C GLU A 85 -11.412 -5.028 -5.377 1.00 0.00 C ATOM 1313 O GLU A 85 -10.560 -5.909 -5.486 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.609 -2.668 -4.996 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.799 -1.433 -4.113 1.00 0.00 C ATOM 1316 CD GLU A 85 -12.004 -0.610 -4.575 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -12.889 -1.212 -5.221 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -12.012 0.603 -4.273 1.00 0.00 O ATOM 0 H GLU A 85 -9.453 -4.458 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.227 -3.618 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.546 -2.842 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.057 -2.493 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.940 -1.740 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.900 -0.817 -4.144 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.519 -4.961 -6.103 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.812 -5.962 -7.114 1.00 0.00 C ATOM 1327 C GLU A 86 -11.665 -6.050 -8.123 1.00 0.00 C ATOM 1328 O GLU A 86 -10.705 -5.285 -8.044 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.138 -5.660 -7.816 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.264 -6.534 -7.261 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.475 -6.527 -8.196 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.470 -7.350 -9.137 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.378 -5.700 -7.949 1.00 0.00 O ATOM 0 H GLU A 86 -13.223 -4.229 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.911 -6.929 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.391 -4.608 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.034 -5.832 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.906 -7.555 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.558 -6.172 -6.276 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.802 -6.989 -9.047 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.789 -7.186 -10.070 1.00 0.00 C ATOM 1342 C ASN A 87 -9.514 -7.727 -9.421 1.00 0.00 C ATOM 1343 O ASN A 87 -8.468 -7.800 -10.064 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.443 -5.868 -10.764 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.876 -5.891 -12.232 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.666 -6.716 -12.660 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.316 -4.941 -12.976 1.00 0.00 N ATOM 0 H ASN A 87 -12.599 -7.622 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.184 -7.887 -10.805 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.934 -5.042 -10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.369 -5.690 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.541 -4.872 -13.969 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.662 -4.282 -12.554 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.642 -8.093 -8.154 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.513 -8.626 -7.410 1.00 0.00 C ATOM 1356 C HIS A 88 -7.414 -7.565 -7.317 1.00 0.00 C ATOM 1357 O HIS A 88 -6.305 -7.771 -7.807 1.00 0.00 O ATOM 1358 CB HIS A 88 -8.022 -9.935 -8.031 1.00 0.00 C ATOM 1359 CG HIS A 88 -8.869 -11.136 -7.683 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -8.652 -12.390 -8.226 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -9.935 -11.260 -6.841 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -9.552 -13.224 -7.727 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -10.347 -12.522 -6.869 1.00 0.00 N ATOM 0 H HIS A 88 -10.511 -8.031 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.824 -8.868 -6.394 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -7.996 -9.824 -9.115 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.998 -10.118 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.370 -10.466 -6.252 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -9.641 -14.275 -7.959 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -11.129 -12.904 -6.337 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.761 -6.454 -6.684 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.818 -5.361 -6.520 1.00 0.00 C ATOM 1373 C TYR A 89 -7.000 -4.679 -5.163 1.00 0.00 C ATOM 1374 O TYR A 89 -8.099 -4.672 -4.610 1.00 0.00 O ATOM 1375 CB TYR A 89 -7.139 -4.357 -7.629 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.390 -4.615 -8.938 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -5.053 -4.956 -8.912 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -7.051 -4.506 -10.145 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.347 -5.199 -10.144 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.346 -4.749 -11.376 1.00 0.00 C ATOM 1381 CZ TYR A 89 -5.029 -5.083 -11.315 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.363 -5.312 -12.479 1.00 0.00 O ATOM 0 H TYR A 89 -8.682 -6.287 -6.279 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.793 -5.728 -6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.211 -4.379 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.900 -3.354 -7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.536 -5.041 -7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.097 -4.238 -10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.301 -5.467 -10.138 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.851 -4.668 -12.327 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.975 -5.194 -13.235 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.906 -4.121 -4.665 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.931 -3.438 -3.383 1.00 0.00 C ATOM 1394 C ASN A 90 -5.685 -1.944 -3.602 1.00 0.00 C ATOM 1395 O ASN A 90 -5.159 -1.543 -4.639 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.835 -3.967 -2.456 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.726 -5.490 -2.548 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.655 -6.069 -3.620 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.716 -6.104 -1.369 1.00 0.00 N ATOM 0 H ASN A 90 -4.996 -4.128 -5.127 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.905 -3.613 -2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.880 -3.514 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.051 -3.676 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.646 -7.121 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.779 -5.559 -0.509 1.00 0.00 H new ATOM 1406 N THR A 91 -6.078 -1.161 -2.608 1.00 0.00 N ATOM 1407 CA THR A 91 -5.907 0.281 -2.678 1.00 0.00 C ATOM 1408 C THR A 91 -5.239 0.802 -1.404 1.00 0.00 C ATOM 1409 O THR A 91 -5.068 0.057 -0.440 1.00 0.00 O ATOM 1410 CB THR A 91 -7.277 0.907 -2.946 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.127 0.311 -1.970 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.873 0.460 -4.282 1.00 0.00 C ATOM 0 H THR A 91 -6.514 -1.498 -1.750 1.00 0.00 H new ATOM 0 HA THR A 91 -5.241 0.561 -3.494 1.00 0.00 H new ATOM 0 HB THR A 91 -7.189 1.993 -2.933 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.036 0.662 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.845 0.933 -4.423 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.206 0.751 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.993 -0.623 -4.283 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.881 2.077 -1.440 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.237 2.706 -0.300 1.00 0.00 C ATOM 1422 C TYR A 92 -4.575 4.196 -0.232 1.00 0.00 C ATOM 1423 O TYR A 92 -4.499 4.900 -1.238 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.732 2.547 -0.525 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.276 1.094 -0.680 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.583 0.167 0.294 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.558 0.712 -1.795 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -2.154 -1.200 0.148 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -1.129 -0.655 -1.941 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.448 -1.544 -0.962 1.00 0.00 C ATOM 1431 OH TYR A 92 -1.043 -2.834 -1.100 1.00 0.00 O ATOM 0 H TYR A 92 -5.025 2.692 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.572 2.247 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.448 3.104 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.200 2.997 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -3.145 0.466 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.318 1.438 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.388 -1.936 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.567 -0.967 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.550 -2.934 -1.941 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.942 4.634 0.963 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.293 6.028 1.175 1.00 0.00 C ATOM 1443 C ILE A 93 -4.609 6.533 2.447 1.00 0.00 C ATOM 1444 O ILE A 93 -4.475 5.793 3.420 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.812 6.203 1.183 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.430 5.689 -0.119 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.195 7.657 1.465 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.909 5.346 0.073 1.00 0.00 C ATOM 0 H ILE A 93 -5.004 4.048 1.795 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.929 6.642 0.351 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.221 5.600 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.327 6.445 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.889 4.805 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.281 7.754 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.804 7.954 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.773 8.301 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.323 4.983 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.007 4.573 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.451 6.237 0.389 1.00 0.00 H new ATOM 1460 N SER A 94 -4.194 7.791 2.398 1.00 0.00 N ATOM 1461 CA SER A 94 -3.528 8.404 3.534 1.00 0.00 C ATOM 1462 C SER A 94 -4.522 8.601 4.681 1.00 0.00 C ATOM 1463 O SER A 94 -5.665 8.995 4.455 1.00 0.00 O ATOM 1464 CB SER A 94 -2.894 9.741 3.146 1.00 0.00 C ATOM 1465 OG SER A 94 -1.604 9.910 3.727 1.00 0.00 O ATOM 0 H SER A 94 -4.306 8.402 1.589 1.00 0.00 H new ATOM 0 HA SER A 94 -2.731 7.737 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.813 9.802 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.544 10.556 3.464 1.00 0.00 H new ATOM 0 HG SER A 94 -0.979 9.269 3.328 1.00 0.00 H new ATOM 1471 N LYS A 95 -4.050 8.318 5.886 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.884 8.459 7.068 1.00 0.00 C ATOM 1473 C LYS A 95 -5.196 9.940 7.293 1.00 0.00 C ATOM 1474 O LYS A 95 -6.349 10.357 7.196 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.227 7.779 8.271 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.224 6.880 9.004 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.934 6.851 10.506 1.00 0.00 C ATOM 1478 CE LYS A 95 -6.225 6.686 11.311 1.00 0.00 C ATOM 1479 NZ LYS A 95 -6.278 7.670 12.414 1.00 0.00 N ATOM 0 H LYS A 95 -3.101 7.992 6.070 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.837 7.950 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.375 7.187 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.842 8.535 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.238 7.240 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.172 5.869 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.253 6.031 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.433 7.773 10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.087 6.817 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.282 5.675 11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.160 7.544 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.465 7.526 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.246 8.633 12.022 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.147 10.694 7.589 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.295 12.120 7.828 1.00 0.00 C ATOM 1495 C LYS A 96 -5.072 12.749 6.670 1.00 0.00 C ATOM 1496 O LYS A 96 -5.673 13.812 6.826 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.930 12.766 8.075 1.00 0.00 C ATOM 1498 CG LYS A 96 -3.030 13.873 9.127 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.670 14.133 9.779 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.793 15.152 10.914 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.481 15.776 11.194 1.00 0.00 N ATOM 0 H LYS A 96 -3.192 10.345 7.669 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.874 12.296 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.219 12.008 8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.545 13.179 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.396 14.789 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.755 13.590 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.264 13.199 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.968 14.500 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.518 15.920 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.168 14.661 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.582 16.465 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.201 15.041 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.138 16.261 10.340 1.00 0.00 H new ATOM 1515 N HIS A 97 -5.037 12.067 5.535 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.730 12.546 4.352 1.00 0.00 C ATOM 1517 C HIS A 97 -6.702 11.472 3.857 1.00 0.00 C ATOM 1518 O HIS A 97 -6.814 11.240 2.654 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.733 12.985 3.278 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.441 13.539 3.829 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.870 14.711 3.364 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.617 13.071 4.809 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -1.752 14.928 4.042 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -1.597 13.910 4.936 1.00 0.00 N ATOM 0 H HIS A 97 -4.539 11.186 5.410 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.317 13.430 4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.507 12.133 2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.202 13.742 2.649 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.246 15.306 2.626 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.769 12.170 5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.081 15.764 3.910 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.378 10.847 4.809 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.336 9.804 4.485 1.00 0.00 C ATOM 1534 C ALA A 98 -9.622 10.444 3.957 1.00 0.00 C ATOM 1535 O ALA A 98 -10.212 9.957 2.994 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.581 8.934 5.719 1.00 0.00 C ATOM 0 H ALA A 98 -7.281 11.043 5.805 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.946 9.155 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.300 8.152 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.642 8.479 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.976 9.551 6.526 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.018 11.526 4.612 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.223 12.237 4.221 1.00 0.00 C ATOM 1544 C GLU A 99 -11.020 12.921 2.867 1.00 0.00 C ATOM 1545 O GLU A 99 -11.986 13.222 2.168 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.632 13.251 5.291 1.00 0.00 C ATOM 1547 CG GLU A 99 -10.987 14.613 5.032 1.00 0.00 C ATOM 1548 CD GLU A 99 -11.118 15.524 6.255 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.269 15.902 6.560 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -10.063 15.820 6.857 1.00 0.00 O ATOM 0 H GLU A 99 -9.526 11.927 5.410 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.033 11.514 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.717 13.355 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.336 12.886 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.934 14.479 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.459 15.085 4.170 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.756 13.147 2.538 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.414 13.790 1.281 1.00 0.00 C ATOM 1559 C LYS A 100 -9.607 12.795 0.135 1.00 0.00 C ATOM 1560 O LYS A 100 -9.551 13.171 -1.035 1.00 0.00 O ATOM 1561 CB LYS A 100 -8.006 14.385 1.348 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.833 15.241 2.604 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.440 16.675 2.240 1.00 0.00 C ATOM 1564 CE LYS A 100 -8.680 17.555 2.066 1.00 0.00 C ATOM 1565 NZ LYS A 100 -8.375 18.712 1.195 1.00 0.00 N ATOM 0 H LYS A 100 -8.957 12.896 3.120 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.081 14.631 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.268 13.583 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.821 14.992 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.762 15.248 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.069 14.802 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.801 17.090 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.858 16.674 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.491 16.970 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.024 17.905 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.227 19.299 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.616 19.279 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.068 18.372 0.261 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.830 11.544 0.511 1.00 0.00 N ATOM 1580 CA ASN A 101 -10.031 10.492 -0.471 1.00 0.00 C ATOM 1581 C ASN A 101 -8.906 10.545 -1.506 1.00 0.00 C ATOM 1582 O ASN A 101 -9.151 10.819 -2.680 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.360 10.672 -1.207 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.393 11.360 -0.312 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.365 12.561 -0.097 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.304 10.535 0.196 1.00 0.00 N ATOM 0 H ASN A 101 -9.876 11.235 1.482 1.00 0.00 H new ATOM 0 HA ASN A 101 -10.037 9.537 0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.203 11.264 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.738 9.700 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.037 10.898 0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.270 9.540 -0.024 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.697 10.278 -1.034 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.534 10.291 -1.905 1.00 0.00 C ATOM 1595 C TRP A 102 -6.022 8.855 -2.033 1.00 0.00 C ATOM 1596 O TRP A 102 -5.867 8.157 -1.033 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.471 11.261 -1.385 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.910 12.726 -1.388 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.027 13.252 -1.910 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.191 13.841 -0.819 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.079 14.618 -1.720 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.928 14.987 -1.035 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.958 13.878 -0.143 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.516 16.255 -0.609 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.561 15.153 0.277 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.291 16.317 0.067 1.00 0.00 C ATOM 0 H TRP A 102 -7.498 10.051 -0.060 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.800 10.655 -2.898 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.200 10.976 -0.368 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.573 11.160 -1.994 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.790 12.679 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.825 15.242 -2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.365 12.994 0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.111 17.138 -0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.621 15.238 0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.915 17.265 0.423 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.775 8.457 -3.272 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.284 7.117 -3.544 1.00 0.00 C ATOM 1619 C PHE A 103 -3.878 7.159 -4.146 1.00 0.00 C ATOM 1620 O PHE A 103 -3.533 8.100 -4.860 1.00 0.00 O ATOM 1621 CB PHE A 103 -6.241 6.486 -4.557 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.668 6.304 -4.035 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.545 7.343 -4.075 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -8.059 5.103 -3.531 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.869 7.174 -3.591 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.383 4.934 -3.047 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.260 5.973 -3.087 1.00 0.00 C ATOM 0 H PHE A 103 -5.906 9.039 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.236 6.544 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.269 7.108 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.848 5.514 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.234 8.297 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.363 4.278 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.565 7.999 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.694 3.980 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.267 5.844 -2.718 1.00 0.00 H new ATOM 1637 N VAL A 104 -3.105 6.129 -3.836 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.744 6.037 -4.338 1.00 0.00 C ATOM 1639 C VAL A 104 -1.755 5.353 -5.707 1.00 0.00 C ATOM 1640 O VAL A 104 -2.287 4.253 -5.850 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.858 5.320 -3.318 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.604 5.314 -3.771 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.999 5.948 -1.931 1.00 0.00 C ATOM 0 H VAL A 104 -3.395 5.351 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.319 7.031 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.193 4.285 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.213 4.798 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.686 4.799 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.956 6.340 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.358 5.419 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.703 6.996 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.036 5.877 -1.603 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.162 6.032 -6.677 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.097 5.503 -8.029 1.00 0.00 C ATOM 1655 C GLY A 105 -0.002 6.201 -8.839 1.00 0.00 C ATOM 1656 O GLY A 105 0.508 7.243 -8.431 1.00 0.00 O ATOM 0 H GLY A 105 -0.722 6.944 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.902 4.431 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.060 5.636 -8.522 1.00 0.00 H new ATOM 1660 N LEU A 106 0.327 5.598 -9.971 1.00 0.00 N ATOM 1661 CA LEU A 106 1.352 6.148 -10.842 1.00 0.00 C ATOM 1662 C LEU A 106 0.853 6.125 -12.288 1.00 0.00 C ATOM 1663 O LEU A 106 0.261 5.141 -12.728 1.00 0.00 O ATOM 1664 CB LEU A 106 2.679 5.414 -10.637 1.00 0.00 C ATOM 1665 CG LEU A 106 3.172 5.309 -9.192 1.00 0.00 C ATOM 1666 CD1 LEU A 106 4.092 4.100 -9.013 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.841 6.610 -8.745 1.00 0.00 C ATOM 0 H LEU A 106 -0.098 4.733 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 106 1.548 7.190 -10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.580 4.406 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.445 5.919 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 106 2.307 5.154 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.428 4.049 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.549 3.189 -9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.956 4.200 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.182 6.508 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.694 6.821 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.125 7.429 -8.811 1.00 0.00 H new ATOM 1679 N LYS A 107 1.111 7.221 -12.987 1.00 0.00 N ATOM 1680 CA LYS A 107 0.696 7.339 -14.374 1.00 0.00 C ATOM 1681 C LYS A 107 1.446 6.304 -15.216 1.00 0.00 C ATOM 1682 O LYS A 107 2.096 5.412 -14.675 1.00 0.00 O ATOM 1683 CB LYS A 107 0.872 8.777 -14.866 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.447 9.548 -14.791 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.884 10.023 -16.178 1.00 0.00 C ATOM 1686 CE LYS A 107 -1.699 11.314 -16.083 1.00 0.00 C ATOM 1687 NZ LYS A 107 -3.073 11.027 -15.615 1.00 0.00 N ATOM 0 H LYS A 107 1.602 8.035 -12.618 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.367 7.121 -14.473 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.627 9.282 -14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.236 8.772 -15.893 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.220 8.912 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.334 10.406 -14.128 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.006 10.188 -16.803 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.479 9.248 -16.661 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.213 12.008 -15.398 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.735 11.801 -17.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.612 11.914 -15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.540 10.382 -16.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.034 10.583 -14.675 1.00 0.00 H new ATOM 1701 N LYS A 108 1.330 6.459 -16.527 1.00 0.00 N ATOM 1702 CA LYS A 108 1.988 5.550 -17.449 1.00 0.00 C ATOM 1703 C LYS A 108 3.445 5.982 -17.632 1.00 0.00 C ATOM 1704 O LYS A 108 4.295 5.173 -17.999 1.00 0.00 O ATOM 1705 CB LYS A 108 1.205 5.456 -18.760 1.00 0.00 C ATOM 1706 CG LYS A 108 1.067 4.001 -19.213 1.00 0.00 C ATOM 1707 CD LYS A 108 0.523 3.921 -20.641 1.00 0.00 C ATOM 1708 CE LYS A 108 -0.990 4.149 -20.664 1.00 0.00 C ATOM 1709 NZ LYS A 108 -1.666 3.064 -21.409 1.00 0.00 N ATOM 0 H LYS A 108 0.790 7.201 -16.972 1.00 0.00 H new ATOM 0 HA LYS A 108 2.003 4.539 -17.041 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.216 5.895 -18.629 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.711 6.035 -19.533 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.037 3.507 -19.161 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.401 3.467 -18.536 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.016 4.667 -21.264 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.754 2.945 -21.068 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.373 4.191 -19.644 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.212 5.110 -21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.692 3.234 -21.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.313 3.042 -22.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.469 2.152 -20.949 1.00 0.00 H new ATOM 1723 N ASN A 109 3.688 7.258 -17.367 1.00 0.00 N ATOM 1724 CA ASN A 109 5.026 7.807 -17.498 1.00 0.00 C ATOM 1725 C ASN A 109 5.797 7.577 -16.196 1.00 0.00 C ATOM 1726 O ASN A 109 6.908 8.077 -16.032 1.00 0.00 O ATOM 1727 CB ASN A 109 4.980 9.314 -17.760 1.00 0.00 C ATOM 1728 CG ASN A 109 4.574 9.607 -19.206 1.00 0.00 C ATOM 1729 OD1 ASN A 109 4.359 8.715 -20.010 1.00 0.00 O ATOM 1730 ND2 ASN A 109 4.482 10.903 -19.490 1.00 0.00 N ATOM 0 H ASN A 109 2.980 7.927 -17.062 1.00 0.00 H new ATOM 0 HA ASN A 109 5.514 7.310 -18.336 1.00 0.00 H new ATOM 0 HB2 ASN A 109 4.272 9.784 -17.077 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.957 9.752 -17.557 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.218 11.202 -20.429 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.676 11.598 -18.769 1.00 0.00 H new ATOM 1737 N GLY A 110 5.175 6.820 -15.304 1.00 0.00 N ATOM 1738 CA GLY A 110 5.788 6.518 -14.022 1.00 0.00 C ATOM 1739 C GLY A 110 5.762 7.739 -13.100 1.00 0.00 C ATOM 1740 O GLY A 110 6.691 7.955 -12.323 1.00 0.00 O ATOM 0 H GLY A 110 4.253 6.407 -15.444 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.261 5.690 -13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.818 6.195 -14.174 1.00 0.00 H new ATOM 1744 N SER A 111 4.687 8.505 -13.216 1.00 0.00 N ATOM 1745 CA SER A 111 4.527 9.698 -12.403 1.00 0.00 C ATOM 1746 C SER A 111 3.427 9.479 -11.363 1.00 0.00 C ATOM 1747 O SER A 111 2.411 8.849 -11.652 1.00 0.00 O ATOM 1748 CB SER A 111 4.203 10.916 -13.270 1.00 0.00 C ATOM 1749 OG SER A 111 5.194 11.138 -14.270 1.00 0.00 O ATOM 0 H SER A 111 3.918 8.322 -13.861 1.00 0.00 H new ATOM 0 HA SER A 111 5.469 9.891 -11.890 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.233 10.774 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.122 11.800 -12.638 1.00 0.00 H new ATOM 0 HG SER A 111 4.950 11.923 -14.804 1.00 0.00 H new ATOM 1755 N CYS A 112 3.666 10.012 -10.174 1.00 0.00 N ATOM 1756 CA CYS A 112 2.708 9.882 -9.089 1.00 0.00 C ATOM 1757 C CYS A 112 1.447 10.663 -9.466 1.00 0.00 C ATOM 1758 O CYS A 112 1.532 11.790 -9.952 1.00 0.00 O ATOM 1759 CB CYS A 112 3.294 10.354 -7.757 1.00 0.00 C ATOM 1760 SG CYS A 112 3.940 12.058 -7.926 1.00 0.00 S ATOM 0 H CYS A 112 4.509 10.535 -9.938 1.00 0.00 H new ATOM 0 HA CYS A 112 2.455 8.831 -8.948 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.528 10.322 -6.982 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.093 9.683 -7.444 1.00 0.00 H new ATOM 0 HG CYS A 112 3.263 12.690 -8.838 1.00 0.00 H new ATOM 1766 N LYS A 113 0.306 10.032 -9.229 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.971 10.653 -9.538 1.00 0.00 C ATOM 1768 C LYS A 113 -1.458 11.440 -8.320 1.00 0.00 C ATOM 1769 O LYS A 113 -1.628 10.876 -7.240 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.970 9.606 -10.034 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.159 10.270 -10.731 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.265 9.252 -11.018 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.706 8.547 -9.734 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.996 7.852 -9.941 1.00 0.00 N ATOM 0 H LYS A 113 0.239 9.097 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.860 11.366 -10.355 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.474 8.923 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.324 9.009 -9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.551 11.071 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.829 10.727 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.118 9.755 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.909 8.515 -11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.945 7.830 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.803 9.274 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.125 7.133 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.773 8.541 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.997 7.393 -10.874 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.670 12.730 -8.534 1.00 0.00 N ATOM 1789 CA ARG A 114 -2.135 13.600 -7.467 1.00 0.00 C ATOM 1790 C ARG A 114 -3.123 12.855 -6.568 1.00 0.00 C ATOM 1791 O ARG A 114 -4.042 12.199 -7.058 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.812 14.850 -8.031 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.874 16.057 -7.969 1.00 0.00 C ATOM 1794 CD ARG A 114 -1.312 16.387 -9.353 1.00 0.00 C ATOM 1795 NE ARG A 114 -2.041 17.536 -9.935 1.00 0.00 N ATOM 1796 CZ ARG A 114 -1.872 17.976 -11.189 1.00 0.00 C ATOM 1797 NH1 ARG A 114 -0.998 17.366 -12.001 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -2.577 19.026 -11.632 1.00 0.00 N ATOM 0 H ARG A 114 -1.528 13.194 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.265 13.904 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.112 14.671 -9.063 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.720 15.062 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -2.412 16.920 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.055 15.851 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.250 16.620 -9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -1.402 15.520 -10.007 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.714 18.024 -9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.461 16.567 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.869 17.701 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.243 19.491 -11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.448 19.361 -12.587 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.902 12.980 -5.268 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.762 12.327 -4.295 1.00 0.00 C ATOM 1814 C GLY A 115 -5.202 12.831 -4.411 1.00 0.00 C ATOM 1815 O GLY A 115 -6.142 12.038 -4.421 1.00 0.00 O ATOM 0 H GLY A 115 -2.139 13.524 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.737 11.248 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.387 12.515 -3.289 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.333 14.182 -4.497 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.642 14.801 -4.611 1.00 0.00 C ATOM 1821 C PRO A 116 -7.212 14.622 -6.019 1.00 0.00 C ATOM 1822 O PRO A 116 -8.292 15.127 -6.325 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.422 16.259 -4.241 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.929 16.504 -4.385 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.242 15.152 -4.487 1.00 0.00 C ATOM 0 HA PRO A 116 -7.382 14.344 -3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.991 16.918 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.754 16.458 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.724 17.104 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.549 17.061 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.640 15.081 -5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.571 14.984 -3.645 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.462 13.901 -6.840 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.879 13.648 -8.208 1.00 0.00 C ATOM 1835 C ARG A 117 -7.131 12.154 -8.420 1.00 0.00 C ATOM 1836 O ARG A 117 -6.758 11.598 -9.452 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.820 14.126 -9.204 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.762 15.654 -9.251 1.00 0.00 C ATOM 1839 CD ARG A 117 -6.229 16.179 -10.611 1.00 0.00 C ATOM 1840 NE ARG A 117 -6.048 17.646 -10.676 1.00 0.00 N ATOM 1841 CZ ARG A 117 -6.926 18.534 -10.190 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -8.052 18.109 -9.599 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -6.679 19.847 -10.294 1.00 0.00 N ATOM 0 H ARG A 117 -5.567 13.484 -6.583 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.801 14.203 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.845 13.730 -8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -6.047 13.736 -10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -6.389 16.070 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.743 15.989 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.663 15.699 -11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -7.278 15.926 -10.767 1.00 0.00 H new ATOM 0 HE ARG A 117 -5.202 18.004 -11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -8.240 17.110 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -8.720 18.785 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -5.822 20.171 -10.743 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -7.348 20.523 -9.924 1.00 0.00 H new ATOM 1857 N THR A 118 -7.761 11.546 -7.425 1.00 0.00 N ATOM 1858 CA THR A 118 -8.066 10.127 -7.489 1.00 0.00 C ATOM 1859 C THR A 118 -9.571 9.898 -7.336 1.00 0.00 C ATOM 1860 O THR A 118 -10.305 10.806 -6.950 1.00 0.00 O ATOM 1861 CB THR A 118 -7.232 9.415 -6.422 1.00 0.00 C ATOM 1862 OG1 THR A 118 -7.427 10.199 -5.249 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.729 9.515 -6.692 1.00 0.00 C ATOM 0 H THR A 118 -8.068 12.010 -6.570 1.00 0.00 H new ATOM 0 HA THR A 118 -7.802 9.709 -8.461 1.00 0.00 H new ATOM 0 HB THR A 118 -7.523 8.366 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.754 10.910 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.183 8.994 -5.906 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.501 9.059 -7.656 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.431 10.563 -6.707 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.986 8.679 -7.648 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.391 8.319 -7.550 1.00 0.00 C ATOM 1873 C HIS A 119 -11.565 6.836 -7.885 1.00 0.00 C ATOM 1874 O HIS A 119 -10.607 6.166 -8.267 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.248 9.231 -8.430 1.00 0.00 C ATOM 1876 CG HIS A 119 -13.103 10.205 -7.655 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -12.745 10.691 -6.410 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -14.302 10.778 -7.962 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.694 11.518 -5.995 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -14.658 11.570 -6.959 1.00 0.00 N ATOM 0 H HIS A 119 -9.375 7.928 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.738 8.468 -6.528 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.595 9.790 -9.100 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.894 8.614 -9.055 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -11.895 10.453 -5.898 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -14.866 10.615 -8.868 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.703 12.056 -5.059 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.795 6.368 -7.730 1.00 0.00 N ATOM 1889 CA TYR A 120 -13.107 4.977 -8.012 1.00 0.00 C ATOM 1890 C TYR A 120 -13.483 4.787 -9.483 1.00 0.00 C ATOM 1891 O TYR A 120 -14.407 5.429 -9.980 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.316 4.632 -7.140 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.051 4.738 -5.637 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -12.957 4.105 -5.083 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.905 5.468 -4.836 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -12.707 4.205 -3.669 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -14.655 5.568 -3.421 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.568 4.932 -2.908 1.00 0.00 C ATOM 1899 OH TYR A 120 -13.332 5.027 -1.572 1.00 0.00 O ATOM 0 H TYR A 120 -13.587 6.927 -7.413 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.247 4.340 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -15.140 5.296 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.639 3.617 -7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.288 3.534 -5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.761 5.964 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -11.855 3.714 -3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -15.316 6.135 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 120 -14.027 5.578 -1.155 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.747 3.901 -10.139 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.991 3.618 -11.543 1.00 0.00 C ATOM 1911 C GLY A 121 -11.682 3.600 -12.334 1.00 0.00 C ATOM 1912 O GLY A 121 -11.603 2.985 -13.396 1.00 0.00 O ATOM 0 H GLY A 121 -11.982 3.370 -9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.493 2.656 -11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.661 4.371 -11.958 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.687 4.282 -11.786 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.385 4.353 -12.428 1.00 0.00 C ATOM 1918 C GLN A 122 -8.586 3.079 -12.147 1.00 0.00 C ATOM 1919 O GLN A 122 -8.774 2.439 -11.114 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.616 5.595 -11.973 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.470 6.855 -12.127 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.659 8.110 -11.795 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -8.905 8.608 -10.586 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -7.864 8.594 -12.584 1.00 0.00 N flip ATOM 0 H GLN A 122 -10.756 4.790 -10.904 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.536 4.434 -13.504 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.316 5.480 -10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.702 5.697 -12.559 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.847 6.921 -13.148 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.337 6.794 -11.470 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.723 8.161 -13.497 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.340 9.432 -12.331 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.710 2.750 -13.085 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.881 1.564 -12.951 1.00 0.00 C ATOM 1935 C LYS A 123 -5.547 1.949 -12.308 1.00 0.00 C ATOM 1936 O LYS A 123 -4.556 1.234 -12.448 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.731 0.859 -14.301 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.555 -0.649 -14.115 1.00 0.00 C ATOM 1939 CD LYS A 123 -5.983 -1.294 -15.380 1.00 0.00 C ATOM 1940 CE LYS A 123 -6.978 -1.203 -16.539 1.00 0.00 C ATOM 1941 NZ LYS A 123 -6.492 -1.980 -17.701 1.00 0.00 N ATOM 0 H LYS A 123 -7.556 3.284 -13.941 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.357 0.840 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.610 1.053 -14.916 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.872 1.266 -14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.890 -0.840 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.516 -1.104 -13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.052 -0.799 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.743 -2.339 -15.183 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.950 -1.581 -16.222 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.119 -0.160 -16.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.179 -1.908 -18.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -5.575 -1.601 -18.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.380 -2.978 -17.429 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.564 3.079 -11.616 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.369 3.568 -10.951 1.00 0.00 C ATOM 1957 C ALA A 124 -4.421 3.185 -9.471 1.00 0.00 C ATOM 1958 O ALA A 124 -3.483 2.585 -8.948 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.251 5.080 -11.158 1.00 0.00 C ATOM 0 H ALA A 124 -6.387 3.670 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.477 3.110 -11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.354 5.447 -10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.187 5.297 -12.224 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.127 5.574 -10.739 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.526 3.548 -8.837 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.713 3.250 -7.427 1.00 0.00 C ATOM 1967 C ILE A 125 -5.542 1.746 -7.202 1.00 0.00 C ATOM 1968 O ILE A 125 -5.197 1.315 -6.103 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.055 3.797 -6.937 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.199 2.849 -7.301 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.295 5.214 -7.463 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.552 3.443 -6.902 1.00 0.00 C ATOM 0 H ILE A 125 -6.302 4.046 -9.274 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.953 3.751 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.022 3.859 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.186 2.653 -8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.056 1.892 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.256 5.579 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.500 5.872 -7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.300 5.202 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.348 2.749 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.571 3.616 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.702 4.388 -7.424 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.792 0.989 -8.260 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.670 -0.457 -8.192 1.00 0.00 C ATOM 1986 C LEU A 126 -4.190 -0.838 -8.146 1.00 0.00 C ATOM 1987 O LEU A 126 -3.477 -0.694 -9.139 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.440 -1.114 -9.339 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.903 -0.694 -9.493 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.467 -1.154 -10.839 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.745 -1.194 -8.317 1.00 0.00 C ATOM 0 H LEU A 126 -6.079 1.350 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.125 -0.835 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.920 -0.895 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.406 -2.195 -9.201 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.948 0.395 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.508 -0.843 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.889 -0.707 -11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.407 -2.240 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.780 -0.881 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.697 -2.282 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.358 -0.775 -7.388 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.770 -1.318 -6.985 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.387 -1.721 -6.798 1.00 0.00 C ATOM 2005 C PHE A 127 -2.291 -3.209 -6.450 1.00 0.00 C ATOM 2006 O PHE A 127 -3.159 -3.746 -5.764 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.836 -0.901 -5.629 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.058 0.345 -6.057 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.274 0.895 -7.281 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.149 0.903 -5.212 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.552 2.052 -7.678 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.573 2.059 -5.608 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.356 2.609 -6.833 1.00 0.00 C ATOM 0 H PHE A 127 -4.364 -1.437 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.824 -1.552 -7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.664 -0.598 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.184 -1.536 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -1.995 0.452 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.023 0.466 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.724 2.489 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.294 2.502 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.905 3.489 -7.135 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.230 -3.831 -6.941 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.010 -5.245 -6.692 1.00 0.00 C ATOM 2025 C LEU A 128 0.423 -5.455 -6.197 1.00 0.00 C ATOM 2026 O LEU A 128 1.379 -5.182 -6.921 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.358 -6.069 -7.933 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.142 -7.360 -7.683 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.536 -7.057 -7.131 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.201 -8.218 -8.948 1.00 0.00 C ATOM 0 H LEU A 128 -0.513 -3.382 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.675 -5.600 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.937 -5.441 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.431 -6.324 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.615 -7.939 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.072 -7.991 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.445 -6.516 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -4.087 -6.447 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.763 -9.129 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.693 -7.659 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.189 -8.478 -9.259 1.00 0.00 H new ATOM 2042 N PRO A 129 0.529 -5.950 -4.935 1.00 0.00 N ATOM 2043 CA PRO A 129 1.829 -6.199 -4.336 1.00 0.00 C ATOM 2044 C PRO A 129 2.470 -7.459 -4.921 1.00 0.00 C ATOM 2045 O PRO A 129 1.849 -8.520 -4.949 1.00 0.00 O ATOM 2046 CB PRO A 129 1.560 -6.308 -2.844 1.00 0.00 C ATOM 2047 CG PRO A 129 0.070 -6.579 -2.708 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.582 -6.284 -4.049 1.00 0.00 C ATOM 0 HA PRO A 129 2.546 -5.404 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.146 -7.113 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.838 -5.389 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.105 -7.615 -2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.362 -5.953 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.137 -7.146 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.290 -5.458 -3.972 1.00 0.00 H new ATOM 2056 N LEU A 130 3.705 -7.300 -5.374 1.00 0.00 N ATOM 2057 CA LEU A 130 4.437 -8.412 -5.956 1.00 0.00 C ATOM 2058 C LEU A 130 5.432 -8.956 -4.930 1.00 0.00 C ATOM 2059 O LEU A 130 6.165 -8.191 -4.304 1.00 0.00 O ATOM 2060 CB LEU A 130 5.084 -7.993 -7.278 1.00 0.00 C ATOM 2061 CG LEU A 130 4.140 -7.857 -8.474 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.459 -9.190 -8.789 1.00 0.00 C ATOM 2063 CD2 LEU A 130 3.125 -6.735 -8.247 1.00 0.00 C ATOM 0 H LEU A 130 4.217 -6.418 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 130 3.757 -9.227 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.587 -7.038 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.854 -8.722 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 130 4.732 -7.583 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.793 -9.066 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.216 -9.938 -9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.882 -9.517 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.466 -6.660 -9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.533 -6.954 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.651 -5.791 -8.109 1.00 0.00 H new ATOM 2075 N PRO A 131 5.426 -10.308 -4.783 1.00 0.00 N ATOM 2076 CA PRO A 131 6.319 -10.963 -3.843 1.00 0.00 C ATOM 2077 C PRO A 131 7.752 -10.993 -4.378 1.00 0.00 C ATOM 2078 O PRO A 131 8.074 -11.791 -5.257 1.00 0.00 O ATOM 2079 CB PRO A 131 5.731 -12.350 -3.643 1.00 0.00 C ATOM 2080 CG PRO A 131 4.802 -12.583 -4.823 1.00 0.00 C ATOM 2081 CD PRO A 131 4.572 -11.245 -5.507 1.00 0.00 C ATOM 0 HA PRO A 131 6.390 -10.434 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.516 -13.106 -3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.188 -12.412 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.241 -13.297 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 131 3.856 -13.007 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.838 -11.289 -6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.525 -10.948 -5.455 1.00 0.00 H new ATOM 2089 N VAL A 132 8.575 -10.113 -3.825 1.00 0.00 N ATOM 2090 CA VAL A 132 9.966 -10.029 -4.235 1.00 0.00 C ATOM 2091 C VAL A 132 10.824 -10.873 -3.291 1.00 0.00 C ATOM 2092 O VAL A 132 12.025 -11.028 -3.509 1.00 0.00 O ATOM 2093 CB VAL A 132 10.406 -8.564 -4.294 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.665 -8.012 -2.891 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.639 -8.398 -5.185 1.00 0.00 C ATOM 0 H VAL A 132 8.304 -9.452 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 132 10.093 -10.434 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 132 9.593 -7.987 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.976 -6.970 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.752 -8.079 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.452 -8.594 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.931 -7.348 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.460 -8.994 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.406 -8.734 -6.195 1.00 0.00 H new